USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 GLN : amide:sc= -0.991 K(o=-1.6,f=-4.1!) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.571 X(o=-1.6,f=-1.5) USER MOD Set 2.1: A 91 THR OG1 : rot -70:sc= 0.688 USER MOD Set 2.2: A 93 GLN : amide:sc= 0.763 K(o=1.5,f=-1.3) USER MOD Set 3.1: A 43 SER OG : rot 180:sc= 0.241 USER MOD Set 3.2: A 44 GLN : amide:sc= -0.668 K(o=-0.43,f=-4!) USER MOD Set 4.1: A 20 HIS : no HE2:sc= -4.24 K(o=-4.1,f=-5.2!) USER MOD Set 4.2: A 109 SER OG : rot 127:sc= 0.158 USER MOD Set 5.1: A 19 TYR OH : rot 180:sc= 0.193 USER MOD Set 5.2: A 49 TYR OH : rot -24:sc= 0.2 USER MOD Set 6.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0892 USER MOD Single : A 10 GLN : amide:sc= -0.017 X(o=-0.017,f=-0.017) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 14 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.5) USER MOD Single : A 16 GLN : amide:sc= 0.967 K(o=0.97,f=-0.96) USER MOD Single : A 34 HIS : no HE2:sc= -0.234 K(o=-0.23,f=-1.2) USER MOD Single : A 35 SER OG : rot 40:sc= 0.394 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 52 SER OG : rot 140:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.084) USER MOD Single : A 65 GLN : amide:sc= -1.41! C(o=-1.4!,f=-4.2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.17) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -170:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0191) USER MOD Single : A 99 SER OG : rot 3:sc= 0.207 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 45:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.899 -0.695 -23.138 1.00 0.00 N ATOM 2 CA GLY A 1 -8.880 0.299 -22.776 1.00 0.00 C ATOM 3 C GLY A 1 -9.438 1.439 -21.933 1.00 0.00 C ATOM 4 O GLY A 1 -9.045 2.590 -22.141 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.463 -1.446 -23.710 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.303 -1.109 -22.274 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.653 -0.235 -23.687 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.078 -0.194 -22.227 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.439 0.708 -23.685 1.00 0.00 H new ATOM 8 N SER A 2 -10.345 1.183 -20.988 1.00 0.00 N ATOM 9 CA SER A 2 -11.149 2.219 -20.346 1.00 0.00 C ATOM 10 C SER A 2 -11.104 2.064 -18.835 1.00 0.00 C ATOM 11 O SER A 2 -11.864 1.291 -18.247 1.00 0.00 O ATOM 12 CB SER A 2 -12.582 2.188 -20.876 1.00 0.00 C ATOM 13 OG SER A 2 -12.967 0.874 -21.245 1.00 0.00 O ATOM 0 H SER A 2 -10.542 0.243 -20.646 1.00 0.00 H new ATOM 0 HA SER A 2 -10.730 3.195 -20.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.262 2.568 -20.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.668 2.850 -21.738 1.00 0.00 H new ATOM 0 HG SER A 2 -13.888 0.885 -21.579 1.00 0.00 H new ATOM 19 N SER A 3 -10.179 2.796 -18.234 1.00 0.00 N ATOM 20 CA SER A 3 -9.956 2.907 -16.812 1.00 0.00 C ATOM 21 C SER A 3 -9.155 4.197 -16.598 1.00 0.00 C ATOM 22 O SER A 3 -8.681 4.790 -17.573 1.00 0.00 O ATOM 23 CB SER A 3 -9.223 1.642 -16.342 1.00 0.00 C ATOM 24 OG SER A 3 -8.243 1.172 -17.277 1.00 0.00 O ATOM 0 H SER A 3 -9.523 3.365 -18.769 1.00 0.00 H new ATOM 0 HA SER A 3 -10.873 2.971 -16.227 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.736 1.846 -15.388 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.953 0.852 -16.165 1.00 0.00 H new ATOM 0 HG SER A 3 -7.811 0.368 -16.921 1.00 0.00 H new ATOM 30 N GLY A 4 -8.991 4.632 -15.351 1.00 0.00 N ATOM 31 CA GLY A 4 -8.107 5.743 -15.038 1.00 0.00 C ATOM 32 C GLY A 4 -6.653 5.313 -15.188 1.00 0.00 C ATOM 33 O GLY A 4 -6.355 4.125 -15.373 1.00 0.00 O ATOM 0 H GLY A 4 -9.462 4.228 -14.541 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.316 6.582 -15.701 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.289 6.087 -14.020 1.00 0.00 H new ATOM 37 N SER A 5 -5.741 6.275 -15.106 1.00 0.00 N ATOM 38 CA SER A 5 -4.320 6.011 -14.927 1.00 0.00 C ATOM 39 C SER A 5 -3.985 5.997 -13.431 1.00 0.00 C ATOM 40 O SER A 5 -4.847 6.270 -12.590 1.00 0.00 O ATOM 41 CB SER A 5 -3.521 7.068 -15.686 1.00 0.00 C ATOM 42 OG SER A 5 -3.790 6.967 -17.077 1.00 0.00 O ATOM 0 H SER A 5 -5.970 7.267 -15.162 1.00 0.00 H new ATOM 0 HA SER A 5 -4.055 5.033 -15.330 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.784 8.063 -15.327 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.455 6.933 -15.502 1.00 0.00 H new ATOM 0 HG SER A 5 -3.277 7.648 -17.560 1.00 0.00 H new ATOM 48 N SER A 6 -2.755 5.621 -13.085 1.00 0.00 N ATOM 49 CA SER A 6 -2.200 5.788 -11.749 1.00 0.00 C ATOM 50 C SER A 6 -1.929 7.280 -11.489 1.00 0.00 C ATOM 51 O SER A 6 -2.059 8.104 -12.399 1.00 0.00 O ATOM 52 CB SER A 6 -0.936 4.915 -11.654 1.00 0.00 C ATOM 53 OG SER A 6 -0.184 4.981 -12.857 1.00 0.00 O ATOM 0 H SER A 6 -2.107 5.184 -13.740 1.00 0.00 H new ATOM 0 HA SER A 6 -2.895 5.463 -10.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.321 5.247 -10.817 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.217 3.881 -11.452 1.00 0.00 H new ATOM 0 HG SER A 6 0.616 4.420 -12.774 1.00 0.00 H new ATOM 59 N GLY A 7 -1.496 7.652 -10.284 1.00 0.00 N ATOM 60 CA GLY A 7 -1.172 9.036 -9.965 1.00 0.00 C ATOM 61 C GLY A 7 -1.023 9.245 -8.463 1.00 0.00 C ATOM 62 O GLY A 7 -0.690 8.317 -7.721 1.00 0.00 O ATOM 0 H GLY A 7 -1.362 7.004 -9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.246 9.318 -10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.954 9.691 -10.348 1.00 0.00 H new ATOM 66 N GLU A 8 -1.279 10.474 -8.018 1.00 0.00 N ATOM 67 CA GLU A 8 -1.458 10.898 -6.629 1.00 0.00 C ATOM 68 C GLU A 8 -0.190 10.834 -5.785 1.00 0.00 C ATOM 69 O GLU A 8 -0.245 11.005 -4.575 1.00 0.00 O ATOM 70 CB GLU A 8 -2.635 10.144 -5.981 1.00 0.00 C ATOM 71 CG GLU A 8 -3.961 10.749 -6.412 1.00 0.00 C ATOM 72 CD GLU A 8 -4.284 10.593 -7.896 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.922 9.599 -8.301 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.022 11.554 -8.658 1.00 0.00 O ATOM 0 H GLU A 8 -1.374 11.257 -8.665 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.704 11.959 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.600 9.092 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.546 10.185 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.760 10.289 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.957 11.811 -6.165 1.00 0.00 H new ATOM 81 N VAL A 9 0.957 10.598 -6.398 1.00 0.00 N ATOM 82 CA VAL A 9 2.215 10.354 -5.725 1.00 0.00 C ATOM 83 C VAL A 9 2.514 11.515 -4.792 1.00 0.00 C ATOM 84 O VAL A 9 2.755 11.318 -3.609 1.00 0.00 O ATOM 85 CB VAL A 9 3.322 10.188 -6.779 1.00 0.00 C ATOM 86 CG1 VAL A 9 4.572 9.598 -6.127 1.00 0.00 C ATOM 87 CG2 VAL A 9 2.831 9.354 -7.976 1.00 0.00 C ATOM 0 H VAL A 9 1.038 10.571 -7.414 1.00 0.00 H new ATOM 0 HA VAL A 9 2.162 9.441 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 9 3.586 11.167 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.354 9.482 -6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.921 10.266 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.334 8.625 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.636 9.254 -8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.529 8.365 -7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.980 9.851 -8.441 1.00 0.00 H new ATOM 97 N GLN A 10 2.507 12.726 -5.347 1.00 0.00 N ATOM 98 CA GLN A 10 2.954 13.928 -4.674 1.00 0.00 C ATOM 99 C GLN A 10 1.825 14.528 -3.820 1.00 0.00 C ATOM 100 O GLN A 10 2.032 15.521 -3.117 1.00 0.00 O ATOM 101 CB GLN A 10 3.400 14.941 -5.742 1.00 0.00 C ATOM 102 CG GLN A 10 4.484 14.390 -6.681 1.00 0.00 C ATOM 103 CD GLN A 10 5.783 14.100 -5.931 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.391 14.994 -5.353 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.251 12.868 -5.903 1.00 0.00 N ATOM 0 H GLN A 10 2.182 12.894 -6.299 1.00 0.00 H new ATOM 0 HA GLN A 10 3.783 13.687 -4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.535 15.241 -6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.776 15.837 -5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.125 13.477 -7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.676 15.109 -7.478 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.749 12.121 -6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.115 12.662 -5.402 1.00 0.00 H new ATOM 114 N LYS A 11 0.603 13.987 -3.912 1.00 0.00 N ATOM 115 CA LYS A 11 -0.481 14.365 -3.005 1.00 0.00 C ATOM 116 C LYS A 11 -0.115 13.953 -1.576 1.00 0.00 C ATOM 117 O LYS A 11 0.718 13.061 -1.377 1.00 0.00 O ATOM 118 CB LYS A 11 -1.820 13.716 -3.404 1.00 0.00 C ATOM 119 CG LYS A 11 -2.530 14.425 -4.567 1.00 0.00 C ATOM 120 CD LYS A 11 -4.048 14.374 -4.347 1.00 0.00 C ATOM 121 CE LYS A 11 -4.805 15.231 -5.361 1.00 0.00 C ATOM 122 NZ LYS A 11 -6.191 15.494 -4.928 1.00 0.00 N ATOM 0 H LYS A 11 0.343 13.286 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.607 15.446 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.642 12.676 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.481 13.708 -2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.196 15.460 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.272 13.945 -5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.390 13.341 -4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.279 14.717 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.282 16.177 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.815 14.727 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.673 16.078 -5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.698 14.592 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.181 15.997 -4.018 1.00 0.00 H new ATOM 136 N PRO A 12 -0.782 14.523 -0.558 1.00 0.00 N ATOM 137 CA PRO A 12 -0.661 14.003 0.789 1.00 0.00 C ATOM 138 C PRO A 12 -1.207 12.579 0.853 1.00 0.00 C ATOM 139 O PRO A 12 -1.998 12.149 0.009 1.00 0.00 O ATOM 140 CB PRO A 12 -1.461 14.951 1.676 1.00 0.00 C ATOM 141 CG PRO A 12 -2.501 15.545 0.732 1.00 0.00 C ATOM 142 CD PRO A 12 -1.781 15.584 -0.614 1.00 0.00 C ATOM 0 HA PRO A 12 0.377 13.952 1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.930 14.422 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.826 15.724 2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.400 14.931 0.688 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.810 16.540 1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.478 15.422 -1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.313 16.554 -0.780 1.00 0.00 H new ATOM 150 N LEU A 13 -0.837 11.856 1.908 1.00 0.00 N ATOM 151 CA LEU A 13 -1.406 10.548 2.200 1.00 0.00 C ATOM 152 C LEU A 13 -2.914 10.661 2.415 1.00 0.00 C ATOM 153 O LEU A 13 -3.647 9.746 2.051 1.00 0.00 O ATOM 154 CB LEU A 13 -0.674 9.937 3.399 1.00 0.00 C ATOM 155 CG LEU A 13 -0.990 8.441 3.627 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.235 7.780 4.257 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.159 8.195 4.583 1.00 0.00 C ATOM 0 H LEU A 13 -0.135 12.162 2.582 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.267 9.876 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.400 10.054 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.938 10.495 4.297 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.255 8.031 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.031 6.723 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.089 7.883 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.460 8.263 5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.320 7.123 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.930 8.629 5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.061 8.658 4.182 1.00 0.00 H new ATOM 169 N HIS A 14 -3.388 11.791 2.952 1.00 0.00 N ATOM 170 CA HIS A 14 -4.799 11.933 3.277 1.00 0.00 C ATOM 171 C HIS A 14 -5.682 12.197 2.037 1.00 0.00 C ATOM 172 O HIS A 14 -6.887 12.394 2.185 1.00 0.00 O ATOM 173 CB HIS A 14 -4.996 13.020 4.347 1.00 0.00 C ATOM 174 CG HIS A 14 -4.850 14.449 3.887 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.779 15.158 3.158 1.00 0.00 N ATOM 176 CD2 HIS A 14 -3.838 15.307 4.217 1.00 0.00 C ATOM 177 CE1 HIS A 14 -5.318 16.412 3.016 1.00 0.00 C ATOM 178 NE2 HIS A 14 -4.134 16.552 3.644 1.00 0.00 N ATOM 0 H HIS A 14 -2.817 12.609 3.166 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.130 10.977 3.682 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.990 12.900 4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.279 12.844 5.149 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.968 15.069 4.811 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.825 17.197 2.475 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.565 17.397 3.693 1.00 0.00 H new ATOM 186 N GLU A 15 -5.118 12.268 0.825 1.00 0.00 N ATOM 187 CA GLU A 15 -5.855 12.447 -0.435 1.00 0.00 C ATOM 188 C GLU A 15 -5.503 11.336 -1.431 1.00 0.00 C ATOM 189 O GLU A 15 -5.636 11.513 -2.645 1.00 0.00 O ATOM 190 CB GLU A 15 -5.605 13.827 -1.068 1.00 0.00 C ATOM 191 CG GLU A 15 -6.266 15.019 -0.370 1.00 0.00 C ATOM 192 CD GLU A 15 -6.663 16.095 -1.391 1.00 0.00 C ATOM 193 OE1 GLU A 15 -5.901 16.407 -2.332 1.00 0.00 O ATOM 194 OE2 GLU A 15 -7.797 16.620 -1.307 1.00 0.00 O ATOM 0 H GLU A 15 -4.109 12.201 0.688 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.916 12.387 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.529 14.001 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.952 13.799 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.149 14.684 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.581 15.443 0.364 1.00 0.00 H new ATOM 201 N GLN A 16 -5.016 10.197 -0.939 1.00 0.00 N ATOM 202 CA GLN A 16 -4.862 9.021 -1.779 1.00 0.00 C ATOM 203 C GLN A 16 -6.236 8.424 -2.105 1.00 0.00 C ATOM 204 O GLN A 16 -7.279 8.941 -1.693 1.00 0.00 O ATOM 205 CB GLN A 16 -3.929 8.010 -1.093 1.00 0.00 C ATOM 206 CG GLN A 16 -2.538 8.598 -0.838 1.00 0.00 C ATOM 207 CD GLN A 16 -1.850 9.064 -2.113 1.00 0.00 C ATOM 208 OE1 GLN A 16 -1.830 8.354 -3.112 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.254 10.242 -2.095 1.00 0.00 N ATOM 0 H GLN A 16 -4.725 10.069 0.030 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.401 9.299 -2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.369 7.694 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.838 7.120 -1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.625 9.439 -0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.916 7.848 -0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.284 10.816 -1.252 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.764 10.578 -2.924 1.00 0.00 H new ATOM 218 N LEU A 17 -6.195 7.321 -2.852 1.00 0.00 N ATOM 219 CA LEU A 17 -7.329 6.498 -3.252 1.00 0.00 C ATOM 220 C LEU A 17 -7.291 5.144 -2.546 1.00 0.00 C ATOM 221 O LEU A 17 -8.320 4.661 -2.091 1.00 0.00 O ATOM 222 CB LEU A 17 -7.347 6.256 -4.772 1.00 0.00 C ATOM 223 CG LEU A 17 -6.002 5.932 -5.459 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.255 5.004 -6.648 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.272 7.197 -5.926 1.00 0.00 C ATOM 0 H LEU A 17 -5.313 6.959 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.229 7.043 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.034 5.434 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.763 7.143 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.360 5.441 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.309 4.772 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.718 4.082 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.919 5.496 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.332 6.920 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.896 7.735 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.068 7.837 -5.068 1.00 0.00 H new ATOM 237 N TRP A 18 -6.110 4.531 -2.485 1.00 0.00 N ATOM 238 CA TRP A 18 -5.855 3.233 -1.868 1.00 0.00 C ATOM 239 C TRP A 18 -5.732 3.298 -0.348 1.00 0.00 C ATOM 240 O TRP A 18 -5.522 2.272 0.305 1.00 0.00 O ATOM 241 CB TRP A 18 -4.593 2.634 -2.492 1.00 0.00 C ATOM 242 CG TRP A 18 -3.430 3.565 -2.679 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.970 4.032 -3.864 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.548 4.127 -1.662 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.848 4.800 -3.658 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.550 4.897 -2.320 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.460 4.047 -0.255 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.524 5.535 -1.626 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.454 4.719 0.463 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.472 5.452 -0.223 1.00 0.00 C ATOM 0 H TRP A 18 -5.267 4.946 -2.883 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.717 2.595 -2.063 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.267 1.802 -1.869 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.857 2.219 -3.465 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.417 3.831 -4.826 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.307 5.241 -4.402 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.184 3.454 0.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.229 6.092 -2.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.437 4.671 1.542 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.317 5.948 0.323 1.00 0.00 H new ATOM 261 N TYR A 19 -5.761 4.491 0.233 1.00 0.00 N ATOM 262 CA TYR A 19 -5.670 4.660 1.669 1.00 0.00 C ATOM 263 C TYR A 19 -7.073 4.481 2.260 1.00 0.00 C ATOM 264 O TYR A 19 -7.833 5.445 2.353 1.00 0.00 O ATOM 265 CB TYR A 19 -5.047 6.015 1.997 1.00 0.00 C ATOM 266 CG TYR A 19 -5.030 6.287 3.480 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.656 5.271 4.382 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.494 7.522 3.959 1.00 0.00 C ATOM 269 CE1 TYR A 19 -4.794 5.468 5.760 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.614 7.735 5.339 1.00 0.00 C ATOM 271 CZ TYR A 19 -5.285 6.702 6.249 1.00 0.00 C ATOM 272 OH TYR A 19 -5.402 6.891 7.590 1.00 0.00 O ATOM 0 H TYR A 19 -5.848 5.366 -0.283 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.017 3.911 2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.028 6.048 1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.605 6.802 1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.262 4.338 4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.758 8.307 3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.527 4.680 6.449 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.958 8.689 5.709 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.752 7.790 7.764 1.00 0.00 H new ATOM 282 N HIS A 20 -7.464 3.247 2.587 1.00 0.00 N ATOM 283 CA HIS A 20 -8.821 3.003 3.065 1.00 0.00 C ATOM 284 C HIS A 20 -9.014 3.584 4.474 1.00 0.00 C ATOM 285 O HIS A 20 -10.000 4.289 4.684 1.00 0.00 O ATOM 286 CB HIS A 20 -9.216 1.524 2.963 1.00 0.00 C ATOM 287 CG HIS A 20 -9.593 1.062 1.579 1.00 0.00 C ATOM 288 ND1 HIS A 20 -10.791 0.474 1.247 1.00 0.00 N ATOM 289 CD2 HIS A 20 -8.841 1.136 0.438 1.00 0.00 C ATOM 290 CE1 HIS A 20 -10.774 0.233 -0.074 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.587 0.580 -0.597 1.00 0.00 N ATOM 0 H HIS A 20 -6.872 2.418 2.530 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.510 3.531 2.406 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.385 0.916 3.320 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.056 1.340 3.633 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.555 0.260 1.888 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.847 1.551 0.356 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.598 -0.181 -0.636 1.00 0.00 H new ATOM 299 N GLY A 21 -8.077 3.379 5.414 1.00 0.00 N ATOM 300 CA GLY A 21 -8.147 3.820 6.793 1.00 0.00 C ATOM 301 C GLY A 21 -8.174 2.589 7.686 1.00 0.00 C ATOM 302 O GLY A 21 -7.556 1.566 7.390 1.00 0.00 O ATOM 0 H GLY A 21 -7.213 2.876 5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.289 4.447 7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.039 4.425 6.953 1.00 0.00 H new ATOM 306 N ALA A 22 -8.861 2.688 8.807 1.00 0.00 N ATOM 307 CA ALA A 22 -9.065 1.593 9.745 1.00 0.00 C ATOM 308 C ALA A 22 -10.015 0.565 9.126 1.00 0.00 C ATOM 309 O ALA A 22 -11.228 0.794 9.100 1.00 0.00 O ATOM 310 CB ALA A 22 -9.609 2.129 11.074 1.00 0.00 C ATOM 0 H ALA A 22 -9.307 3.556 9.102 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.113 1.103 9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.757 1.301 11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.897 2.836 11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.560 2.632 10.901 1.00 0.00 H new ATOM 316 N ILE A 23 -9.492 -0.568 8.647 1.00 0.00 N ATOM 317 CA ILE A 23 -10.277 -1.664 8.070 1.00 0.00 C ATOM 318 C ILE A 23 -9.810 -2.986 8.721 1.00 0.00 C ATOM 319 O ILE A 23 -8.619 -3.126 9.023 1.00 0.00 O ATOM 320 CB ILE A 23 -10.252 -1.642 6.505 1.00 0.00 C ATOM 321 CG1 ILE A 23 -9.743 -2.961 5.892 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.480 -0.469 5.873 1.00 0.00 C ATOM 323 CD1 ILE A 23 -9.914 -3.090 4.384 1.00 0.00 C ATOM 0 H ILE A 23 -8.489 -0.753 8.650 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.336 -1.548 8.300 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.304 -1.502 6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.685 -3.068 6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.264 -3.790 6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.524 -0.548 4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.929 0.473 6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.440 -0.501 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.524 -4.053 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.972 -3.021 4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.368 -2.288 3.886 1.00 0.00 H new ATOM 335 N PRO A 24 -10.684 -3.984 8.944 1.00 0.00 N ATOM 336 CA PRO A 24 -10.293 -5.293 9.472 1.00 0.00 C ATOM 337 C PRO A 24 -9.530 -6.125 8.429 1.00 0.00 C ATOM 338 O PRO A 24 -9.510 -5.794 7.245 1.00 0.00 O ATOM 339 CB PRO A 24 -11.612 -5.967 9.840 1.00 0.00 C ATOM 340 CG PRO A 24 -12.583 -5.401 8.816 1.00 0.00 C ATOM 341 CD PRO A 24 -12.109 -3.960 8.651 1.00 0.00 C ATOM 0 HA PRO A 24 -9.617 -5.198 10.322 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.543 -7.053 9.773 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.916 -5.729 10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.542 -5.949 7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.614 -5.449 9.168 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.296 -3.599 7.640 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.638 -3.292 9.331 1.00 0.00 H new ATOM 349 N ARG A 25 -8.911 -7.247 8.824 1.00 0.00 N ATOM 350 CA ARG A 25 -8.207 -8.070 7.835 1.00 0.00 C ATOM 351 C ARG A 25 -9.151 -8.761 6.856 1.00 0.00 C ATOM 352 O ARG A 25 -8.714 -9.062 5.748 1.00 0.00 O ATOM 353 CB ARG A 25 -7.218 -9.069 8.468 1.00 0.00 C ATOM 354 CG ARG A 25 -7.872 -10.310 9.104 1.00 0.00 C ATOM 355 CD ARG A 25 -6.858 -11.432 9.373 1.00 0.00 C ATOM 356 NE ARG A 25 -5.828 -11.106 10.373 1.00 0.00 N ATOM 357 CZ ARG A 25 -5.999 -10.950 11.693 1.00 0.00 C ATOM 358 NH1 ARG A 25 -7.205 -10.989 12.237 1.00 0.00 N ATOM 359 NH2 ARG A 25 -4.947 -10.776 12.485 1.00 0.00 N ATOM 0 H ARG A 25 -8.883 -7.594 9.783 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.610 -7.365 7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.516 -9.398 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.638 -8.550 9.231 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.352 -10.025 10.040 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.656 -10.683 8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.398 -12.319 9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.366 -11.690 8.435 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.878 -10.985 10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.025 -11.140 11.649 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.314 -10.868 13.244 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.007 -10.761 12.089 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.079 -10.657 13.489 1.00 0.00 H new ATOM 373 N ALA A 26 -10.396 -9.048 7.252 1.00 0.00 N ATOM 374 CA ALA A 26 -11.297 -9.795 6.385 1.00 0.00 C ATOM 375 C ALA A 26 -11.767 -8.930 5.218 1.00 0.00 C ATOM 376 O ALA A 26 -11.890 -9.441 4.105 1.00 0.00 O ATOM 377 CB ALA A 26 -12.491 -10.327 7.176 1.00 0.00 C ATOM 0 H ALA A 26 -10.792 -8.778 8.152 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.749 -10.646 5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.151 -10.882 6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.138 -10.987 7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.037 -9.492 7.616 1.00 0.00 H new ATOM 383 N GLU A 27 -12.013 -7.641 5.469 1.00 0.00 N ATOM 384 CA GLU A 27 -12.550 -6.714 4.475 1.00 0.00 C ATOM 385 C GLU A 27 -11.594 -6.589 3.297 1.00 0.00 C ATOM 386 O GLU A 27 -12.052 -6.492 2.171 1.00 0.00 O ATOM 387 CB GLU A 27 -12.788 -5.338 5.109 1.00 0.00 C ATOM 388 CG GLU A 27 -14.115 -5.257 5.871 1.00 0.00 C ATOM 389 CD GLU A 27 -15.317 -5.153 4.942 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.589 -4.040 4.445 1.00 0.00 O ATOM 391 OE2 GLU A 27 -16.040 -6.165 4.799 1.00 0.00 O ATOM 0 H GLU A 27 -11.843 -7.210 6.378 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.501 -7.105 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.968 -5.110 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.775 -4.577 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.223 -6.140 6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.097 -4.392 6.534 1.00 0.00 H new ATOM 398 N VAL A 28 -10.280 -6.677 3.533 1.00 0.00 N ATOM 399 CA VAL A 28 -9.254 -6.648 2.499 1.00 0.00 C ATOM 400 C VAL A 28 -9.694 -7.503 1.309 1.00 0.00 C ATOM 401 O VAL A 28 -9.853 -6.983 0.212 1.00 0.00 O ATOM 402 CB VAL A 28 -7.897 -7.093 3.086 1.00 0.00 C ATOM 403 CG1 VAL A 28 -6.805 -7.145 2.010 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.424 -6.177 4.228 1.00 0.00 C ATOM 0 H VAL A 28 -9.897 -6.773 4.474 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.121 -5.630 2.133 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.062 -8.094 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.865 -7.462 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.093 -7.854 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.681 -6.156 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.466 -6.533 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.312 -5.159 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.159 -6.190 5.033 1.00 0.00 H new ATOM 414 N ALA A 29 -9.877 -8.809 1.501 1.00 0.00 N ATOM 415 CA ALA A 29 -10.112 -9.717 0.383 1.00 0.00 C ATOM 416 C ALA A 29 -11.468 -9.504 -0.305 1.00 0.00 C ATOM 417 O ALA A 29 -11.672 -10.045 -1.387 1.00 0.00 O ATOM 418 CB ALA A 29 -10.017 -11.160 0.855 1.00 0.00 C ATOM 0 H ALA A 29 -9.867 -9.259 2.416 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.339 -9.497 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.194 -11.830 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.023 -11.345 1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.766 -11.341 1.626 1.00 0.00 H new ATOM 424 N GLU A 30 -12.396 -8.798 0.336 1.00 0.00 N ATOM 425 CA GLU A 30 -13.643 -8.355 -0.272 1.00 0.00 C ATOM 426 C GLU A 30 -13.377 -7.213 -1.266 1.00 0.00 C ATOM 427 O GLU A 30 -14.104 -7.098 -2.255 1.00 0.00 O ATOM 428 CB GLU A 30 -14.643 -7.983 0.848 1.00 0.00 C ATOM 429 CG GLU A 30 -15.741 -6.949 0.523 1.00 0.00 C ATOM 430 CD GLU A 30 -16.760 -7.402 -0.524 1.00 0.00 C ATOM 431 OE1 GLU A 30 -17.064 -8.616 -0.591 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.301 -6.543 -1.259 1.00 0.00 O ATOM 0 H GLU A 30 -12.298 -8.514 1.311 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.095 -9.157 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.134 -8.899 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.070 -7.607 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.271 -6.702 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.265 -6.033 0.174 1.00 0.00 H new ATOM 439 N LEU A 31 -12.371 -6.371 -1.008 1.00 0.00 N ATOM 440 CA LEU A 31 -12.040 -5.192 -1.800 1.00 0.00 C ATOM 441 C LEU A 31 -11.112 -5.559 -2.953 1.00 0.00 C ATOM 442 O LEU A 31 -11.258 -5.032 -4.057 1.00 0.00 O ATOM 443 CB LEU A 31 -11.286 -4.172 -0.934 1.00 0.00 C ATOM 444 CG LEU A 31 -12.016 -3.703 0.341 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.013 -3.005 1.235 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.149 -2.721 0.061 1.00 0.00 C ATOM 0 H LEU A 31 -11.745 -6.500 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.976 -4.779 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.330 -4.607 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.065 -3.297 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.450 -4.588 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.510 -2.665 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.214 -3.699 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.592 -2.148 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.620 -2.432 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.749 -1.835 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.889 -3.194 -0.585 1.00 0.00 H new ATOM 458 N LEU A 32 -10.101 -6.389 -2.669 1.00 0.00 N ATOM 459 CA LEU A 32 -9.110 -6.797 -3.651 1.00 0.00 C ATOM 460 C LEU A 32 -9.721 -7.925 -4.476 1.00 0.00 C ATOM 461 O LEU A 32 -10.270 -8.869 -3.904 1.00 0.00 O ATOM 462 CB LEU A 32 -7.810 -7.309 -2.996 1.00 0.00 C ATOM 463 CG LEU A 32 -7.261 -6.608 -1.737 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.911 -7.194 -1.364 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.122 -5.091 -1.810 1.00 0.00 C ATOM 0 H LEU A 32 -9.954 -6.794 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.848 -5.933 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.964 -8.358 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.028 -7.275 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.024 -6.796 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.530 -6.693 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.020 -8.260 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.212 -7.050 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.727 -4.716 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.441 -4.827 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.099 -4.645 -1.997 1.00 0.00 H new ATOM 477 N VAL A 33 -9.554 -7.897 -5.795 1.00 0.00 N ATOM 478 CA VAL A 33 -10.065 -8.943 -6.683 1.00 0.00 C ATOM 479 C VAL A 33 -8.986 -9.394 -7.663 1.00 0.00 C ATOM 480 O VAL A 33 -8.982 -10.542 -8.120 1.00 0.00 O ATOM 481 CB VAL A 33 -11.323 -8.443 -7.434 1.00 0.00 C ATOM 482 CG1 VAL A 33 -12.170 -9.633 -7.900 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.219 -7.496 -6.620 1.00 0.00 C ATOM 0 H VAL A 33 -9.060 -7.149 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.348 -9.804 -6.078 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.940 -7.870 -8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.052 -9.268 -8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.580 -10.259 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.481 -10.219 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.075 -7.196 -7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.569 -8.007 -5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.649 -6.612 -6.335 1.00 0.00 H new ATOM 493 N HIS A 34 -8.049 -8.507 -7.987 1.00 0.00 N ATOM 494 CA HIS A 34 -7.061 -8.738 -9.013 1.00 0.00 C ATOM 495 C HIS A 34 -5.724 -9.022 -8.343 1.00 0.00 C ATOM 496 O HIS A 34 -5.390 -8.394 -7.337 1.00 0.00 O ATOM 497 CB HIS A 34 -7.003 -7.516 -9.932 1.00 0.00 C ATOM 498 CG HIS A 34 -8.367 -6.952 -10.270 1.00 0.00 C ATOM 499 ND1 HIS A 34 -8.875 -5.758 -9.812 1.00 0.00 N ATOM 500 CD2 HIS A 34 -9.388 -7.612 -10.898 1.00 0.00 C ATOM 501 CE1 HIS A 34 -10.155 -5.671 -10.209 1.00 0.00 C ATOM 502 NE2 HIS A 34 -10.511 -6.773 -10.895 1.00 0.00 N ATOM 0 H HIS A 34 -7.961 -7.598 -7.533 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.320 -9.600 -9.628 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.405 -6.740 -9.454 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.492 -7.789 -10.855 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.368 -5.061 -9.266 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.338 -8.604 -11.321 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.807 -4.834 -10.006 1.00 0.00 H new ATOM 510 N SER A 35 -4.935 -9.944 -8.892 1.00 0.00 N ATOM 511 CA SER A 35 -3.572 -10.169 -8.436 1.00 0.00 C ATOM 512 C SER A 35 -2.784 -8.885 -8.670 1.00 0.00 C ATOM 513 O SER A 35 -2.513 -8.551 -9.828 1.00 0.00 O ATOM 514 CB SER A 35 -2.954 -11.343 -9.202 1.00 0.00 C ATOM 515 OG SER A 35 -3.153 -11.195 -10.600 1.00 0.00 O ATOM 0 H SER A 35 -5.223 -10.550 -9.660 1.00 0.00 H new ATOM 0 HA SER A 35 -3.554 -10.422 -7.376 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.887 -11.402 -8.986 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.400 -12.278 -8.864 1.00 0.00 H new ATOM 0 HG SER A 35 -3.029 -10.256 -10.850 1.00 0.00 H new ATOM 521 N GLY A 36 -2.487 -8.128 -7.617 1.00 0.00 N ATOM 522 CA GLY A 36 -1.911 -6.806 -7.758 1.00 0.00 C ATOM 523 C GLY A 36 -2.678 -5.709 -7.051 1.00 0.00 C ATOM 524 O GLY A 36 -2.079 -4.654 -6.848 1.00 0.00 O ATOM 0 H GLY A 36 -2.640 -8.417 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.891 -6.825 -7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.847 -6.562 -8.818 1.00 0.00 H new ATOM 528 N ASP A 37 -3.962 -5.920 -6.740 1.00 0.00 N ATOM 529 CA ASP A 37 -4.782 -4.983 -5.969 1.00 0.00 C ATOM 530 C ASP A 37 -4.131 -4.843 -4.608 1.00 0.00 C ATOM 531 O ASP A 37 -3.887 -5.857 -3.952 1.00 0.00 O ATOM 532 CB ASP A 37 -6.229 -5.476 -5.775 1.00 0.00 C ATOM 533 CG ASP A 37 -7.225 -4.991 -6.823 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.119 -3.844 -7.318 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.142 -5.777 -7.131 1.00 0.00 O ATOM 0 H ASP A 37 -4.467 -6.760 -7.022 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.837 -4.039 -6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.228 -6.566 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.576 -5.157 -4.792 1.00 0.00 H new ATOM 540 N PHE A 38 -3.886 -3.612 -4.167 1.00 0.00 N ATOM 541 CA PHE A 38 -3.454 -3.292 -2.820 1.00 0.00 C ATOM 542 C PHE A 38 -4.313 -2.169 -2.246 1.00 0.00 C ATOM 543 O PHE A 38 -4.901 -1.368 -2.980 1.00 0.00 O ATOM 544 CB PHE A 38 -1.955 -2.930 -2.796 1.00 0.00 C ATOM 545 CG PHE A 38 -1.561 -1.726 -3.630 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.785 -0.427 -3.138 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.013 -1.901 -4.916 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.518 0.685 -3.950 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.762 -0.786 -5.735 1.00 0.00 C ATOM 550 CZ PHE A 38 -1.023 0.507 -5.248 1.00 0.00 C ATOM 0 H PHE A 38 -3.987 -2.788 -4.760 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.584 -4.172 -2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.660 -2.747 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.385 -3.792 -3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.162 -0.286 -2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.785 -2.894 -5.274 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.695 1.682 -3.573 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.371 -0.922 -6.732 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.841 1.366 -5.877 1.00 0.00 H new ATOM 560 N LEU A 39 -4.296 -2.081 -0.917 1.00 0.00 N ATOM 561 CA LEU A 39 -4.769 -0.968 -0.110 1.00 0.00 C ATOM 562 C LEU A 39 -3.825 -0.790 1.075 1.00 0.00 C ATOM 563 O LEU A 39 -3.084 -1.715 1.432 1.00 0.00 O ATOM 564 CB LEU A 39 -6.214 -1.213 0.350 1.00 0.00 C ATOM 565 CG LEU A 39 -6.410 -2.230 1.498 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.403 -1.618 2.889 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.754 -2.918 1.334 1.00 0.00 C ATOM 0 H LEU A 39 -3.926 -2.838 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.773 -0.052 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.639 -0.259 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.792 -1.553 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.563 -2.913 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.547 -2.402 3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.448 -1.123 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.210 -0.889 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.896 -3.636 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.550 -2.174 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.782 -3.438 0.377 1.00 0.00 H new ATOM 579 N VAL A 40 -3.897 0.371 1.722 1.00 0.00 N ATOM 580 CA VAL A 40 -3.227 0.648 2.983 1.00 0.00 C ATOM 581 C VAL A 40 -4.304 0.862 4.034 1.00 0.00 C ATOM 582 O VAL A 40 -5.291 1.563 3.797 1.00 0.00 O ATOM 583 CB VAL A 40 -2.255 1.831 2.852 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.583 2.151 4.189 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.153 1.476 1.851 1.00 0.00 C ATOM 0 H VAL A 40 -4.437 1.162 1.372 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.602 -0.191 3.287 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.829 2.696 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.902 2.992 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.344 2.408 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.024 1.281 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.463 2.314 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.611 0.598 2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.599 1.263 0.880 1.00 0.00 H new ATOM 595 N ARG A 41 -4.125 0.193 5.172 1.00 0.00 N ATOM 596 CA ARG A 41 -5.071 0.152 6.274 1.00 0.00 C ATOM 597 C ARG A 41 -4.360 0.513 7.567 1.00 0.00 C ATOM 598 O ARG A 41 -3.140 0.358 7.648 1.00 0.00 O ATOM 599 CB ARG A 41 -5.707 -1.244 6.380 1.00 0.00 C ATOM 600 CG ARG A 41 -4.694 -2.299 6.835 1.00 0.00 C ATOM 601 CD ARG A 41 -5.301 -3.690 6.958 1.00 0.00 C ATOM 602 NE ARG A 41 -6.054 -3.830 8.218 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.562 -4.037 9.447 1.00 0.00 C ATOM 604 NH1 ARG A 41 -4.253 -4.160 9.639 1.00 0.00 N ATOM 605 NH2 ARG A 41 -6.389 -4.145 10.478 1.00 0.00 N ATOM 0 H ARG A 41 -3.284 -0.354 5.354 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.866 0.875 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.539 -1.212 7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.119 -1.530 5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.867 -2.331 6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.277 -2.004 7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.963 -3.878 6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.511 -4.440 6.917 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.069 -3.761 8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.613 -4.097 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.888 -4.317 10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.396 -4.070 10.334 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.018 -4.303 11.415 1.00 0.00 H new ATOM 619 N GLU A 42 -5.088 0.861 8.617 1.00 0.00 N ATOM 620 CA GLU A 42 -4.550 1.024 9.967 1.00 0.00 C ATOM 621 C GLU A 42 -4.881 -0.205 10.813 1.00 0.00 C ATOM 622 O GLU A 42 -5.889 -0.882 10.585 1.00 0.00 O ATOM 623 CB GLU A 42 -5.108 2.297 10.614 1.00 0.00 C ATOM 624 CG GLU A 42 -4.411 2.708 11.932 1.00 0.00 C ATOM 625 CD GLU A 42 -5.401 2.918 13.093 1.00 0.00 C ATOM 626 OE1 GLU A 42 -6.236 3.851 12.999 1.00 0.00 O ATOM 627 OE2 GLU A 42 -5.278 2.283 14.166 1.00 0.00 O ATOM 0 H GLU A 42 -6.090 1.043 8.558 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.466 1.121 9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.023 3.118 9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.171 2.154 10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.690 1.940 12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.850 3.628 11.769 1.00 0.00 H new ATOM 634 N SER A 43 -4.022 -0.468 11.798 1.00 0.00 N ATOM 635 CA SER A 43 -4.108 -1.559 12.736 1.00 0.00 C ATOM 636 C SER A 43 -5.276 -1.322 13.703 1.00 0.00 C ATOM 637 O SER A 43 -6.171 -0.511 13.478 1.00 0.00 O ATOM 638 CB SER A 43 -2.744 -1.682 13.431 1.00 0.00 C ATOM 639 OG SER A 43 -2.630 -2.910 14.128 1.00 0.00 O ATOM 0 H SER A 43 -3.203 0.117 11.962 1.00 0.00 H new ATOM 0 HA SER A 43 -4.321 -2.508 12.243 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.948 -1.607 12.690 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.612 -0.853 14.126 1.00 0.00 H new ATOM 0 HG SER A 43 -1.751 -2.961 14.559 1.00 0.00 H new ATOM 645 N GLN A 44 -5.313 -2.105 14.775 1.00 0.00 N ATOM 646 CA GLN A 44 -6.420 -2.175 15.714 1.00 0.00 C ATOM 647 C GLN A 44 -6.289 -1.047 16.752 1.00 0.00 C ATOM 648 O GLN A 44 -6.274 -1.315 17.957 1.00 0.00 O ATOM 649 CB GLN A 44 -6.461 -3.583 16.340 1.00 0.00 C ATOM 650 CG GLN A 44 -6.658 -4.725 15.325 1.00 0.00 C ATOM 651 CD GLN A 44 -5.434 -5.006 14.451 1.00 0.00 C ATOM 652 OE1 GLN A 44 -5.446 -4.828 13.233 1.00 0.00 O ATOM 653 NE2 GLN A 44 -4.340 -5.469 15.029 1.00 0.00 N ATOM 0 H GLN A 44 -4.545 -2.729 15.020 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.374 -2.021 15.209 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.532 -3.753 16.884 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.269 -3.619 17.071 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.921 -5.634 15.865 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.502 -4.481 14.680 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.321 -5.620 16.038 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.515 -5.676 14.467 1.00 0.00 H new ATOM 662 N GLY A 45 -6.129 0.202 16.302 1.00 0.00 N ATOM 663 CA GLY A 45 -5.973 1.387 17.138 1.00 0.00 C ATOM 664 C GLY A 45 -4.518 1.696 17.475 1.00 0.00 C ATOM 665 O GLY A 45 -4.254 2.504 18.366 1.00 0.00 O ATOM 0 H GLY A 45 -6.104 0.419 15.306 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.411 2.245 16.627 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.532 1.247 18.063 1.00 0.00 H new ATOM 669 N LYS A 46 -3.567 1.022 16.827 1.00 0.00 N ATOM 670 CA LYS A 46 -2.145 1.338 16.916 1.00 0.00 C ATOM 671 C LYS A 46 -1.834 2.277 15.759 1.00 0.00 C ATOM 672 O LYS A 46 -2.380 2.054 14.678 1.00 0.00 O ATOM 673 CB LYS A 46 -1.296 0.064 16.782 1.00 0.00 C ATOM 674 CG LYS A 46 -1.814 -1.188 17.506 1.00 0.00 C ATOM 675 CD LYS A 46 -2.107 -0.984 19.000 1.00 0.00 C ATOM 676 CE LYS A 46 -2.456 -2.288 19.734 1.00 0.00 C ATOM 677 NZ LYS A 46 -1.279 -3.163 19.930 1.00 0.00 N ATOM 0 H LYS A 46 -3.768 0.230 16.217 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.914 1.793 17.879 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.200 -0.171 15.722 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.294 0.282 17.153 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.725 -1.527 17.013 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.078 -1.985 17.398 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.238 -0.529 19.475 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.933 -0.282 19.109 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.892 -2.049 20.704 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.215 -2.828 19.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.569 -4.028 20.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.876 -3.415 19.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.563 -2.661 20.494 1.00 0.00 H new ATOM 691 N GLN A 47 -0.938 3.251 15.934 1.00 0.00 N ATOM 692 CA GLN A 47 -0.622 4.252 14.907 1.00 0.00 C ATOM 693 C GLN A 47 0.280 3.648 13.808 1.00 0.00 C ATOM 694 O GLN A 47 1.354 4.168 13.501 1.00 0.00 O ATOM 695 CB GLN A 47 0.003 5.502 15.545 1.00 0.00 C ATOM 696 CG GLN A 47 -0.964 6.179 16.528 1.00 0.00 C ATOM 697 CD GLN A 47 -2.044 7.044 15.883 1.00 0.00 C ATOM 698 OE1 GLN A 47 -1.795 7.787 14.933 1.00 0.00 O ATOM 699 NE2 GLN A 47 -3.270 6.987 16.376 1.00 0.00 N ATOM 0 H GLN A 47 -0.407 3.370 16.797 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.549 4.562 14.425 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.919 5.225 16.067 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.283 6.209 14.764 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.448 5.407 17.127 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.386 6.798 17.214 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.475 6.371 17.163 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.010 7.559 15.969 1.00 0.00 H new ATOM 708 N GLU A 48 -0.099 2.489 13.276 1.00 0.00 N ATOM 709 CA GLU A 48 0.726 1.604 12.488 1.00 0.00 C ATOM 710 C GLU A 48 -0.114 1.066 11.342 1.00 0.00 C ATOM 711 O GLU A 48 -1.187 0.470 11.521 1.00 0.00 O ATOM 712 CB GLU A 48 1.277 0.522 13.409 1.00 0.00 C ATOM 713 CG GLU A 48 1.917 -0.659 12.684 1.00 0.00 C ATOM 714 CD GLU A 48 2.809 -1.439 13.654 1.00 0.00 C ATOM 715 OE1 GLU A 48 2.276 -2.192 14.508 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.045 -1.226 13.641 1.00 0.00 O ATOM 0 H GLU A 48 -1.046 2.130 13.396 1.00 0.00 H new ATOM 0 HA GLU A 48 1.583 2.111 12.043 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.017 0.969 14.073 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.468 0.151 14.038 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.144 -1.313 12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.506 -0.303 11.839 1.00 0.00 H new ATOM 723 N TYR A 49 0.359 1.367 10.142 1.00 0.00 N ATOM 724 CA TYR A 49 -0.327 1.009 8.917 1.00 0.00 C ATOM 725 C TYR A 49 0.110 -0.388 8.457 1.00 0.00 C ATOM 726 O TYR A 49 1.148 -0.907 8.862 1.00 0.00 O ATOM 727 CB TYR A 49 -0.097 2.074 7.835 1.00 0.00 C ATOM 728 CG TYR A 49 -0.704 3.439 8.092 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.085 3.564 8.332 1.00 0.00 C ATOM 730 CD2 TYR A 49 0.095 4.597 8.001 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.657 4.836 8.515 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.474 5.870 8.152 1.00 0.00 C ATOM 733 CZ TYR A 49 -1.854 5.993 8.412 1.00 0.00 C ATOM 734 OH TYR A 49 -2.424 7.219 8.505 1.00 0.00 O ATOM 0 H TYR A 49 1.234 1.869 9.994 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.400 0.973 9.105 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.978 2.198 7.701 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.494 1.695 6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.707 2.682 8.376 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.154 4.503 7.813 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.711 4.928 8.734 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.143 6.753 8.069 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.370 7.160 8.257 1.00 0.00 H new ATOM 744 N VAL A 50 -0.675 -0.994 7.572 1.00 0.00 N ATOM 745 CA VAL A 50 -0.457 -2.306 6.974 1.00 0.00 C ATOM 746 C VAL A 50 -0.812 -2.158 5.500 1.00 0.00 C ATOM 747 O VAL A 50 -1.809 -1.531 5.141 1.00 0.00 O ATOM 748 CB VAL A 50 -1.328 -3.379 7.666 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.484 -4.704 6.900 1.00 0.00 C ATOM 750 CG2 VAL A 50 -0.820 -3.766 9.059 1.00 0.00 C ATOM 0 H VAL A 50 -1.531 -0.556 7.233 1.00 0.00 H new ATOM 0 HA VAL A 50 0.575 -2.636 7.094 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.291 -2.870 7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.113 -5.384 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.946 -4.512 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.503 -5.156 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.477 -4.523 9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.191 -4.165 8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.813 -2.885 9.701 1.00 0.00 H new ATOM 760 N LEU A 51 0.020 -2.738 4.653 1.00 0.00 N ATOM 761 CA LEU A 51 -0.171 -2.914 3.237 1.00 0.00 C ATOM 762 C LEU A 51 -0.855 -4.257 3.034 1.00 0.00 C ATOM 763 O LEU A 51 -0.400 -5.276 3.566 1.00 0.00 O ATOM 764 CB LEU A 51 1.227 -2.902 2.604 1.00 0.00 C ATOM 765 CG LEU A 51 1.273 -2.799 1.079 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.539 -1.567 0.535 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.751 -2.693 0.677 1.00 0.00 C ATOM 0 H LEU A 51 0.910 -3.124 4.967 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.785 -2.135 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.786 -2.064 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.747 -3.812 2.902 1.00 0.00 H new ATOM 0 HG LEU A 51 0.778 -3.677 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.609 -1.553 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.509 -1.608 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.995 -0.664 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.829 -2.617 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.190 -1.807 1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.285 -3.580 1.018 1.00 0.00 H new ATOM 779 N SER A 52 -1.971 -4.258 2.313 1.00 0.00 N ATOM 780 CA SER A 52 -2.851 -5.412 2.209 1.00 0.00 C ATOM 781 C SER A 52 -3.136 -5.623 0.726 1.00 0.00 C ATOM 782 O SER A 52 -3.727 -4.748 0.099 1.00 0.00 O ATOM 783 CB SER A 52 -4.121 -5.194 3.045 1.00 0.00 C ATOM 784 OG SER A 52 -3.901 -4.369 4.179 1.00 0.00 O ATOM 0 H SER A 52 -2.291 -3.449 1.780 1.00 0.00 H new ATOM 0 HA SER A 52 -2.389 -6.313 2.612 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.890 -4.743 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.504 -6.160 3.374 1.00 0.00 H new ATOM 0 HG SER A 52 -4.662 -3.762 4.295 1.00 0.00 H new ATOM 790 N VAL A 53 -2.637 -6.715 0.147 1.00 0.00 N ATOM 791 CA VAL A 53 -2.437 -6.886 -1.285 1.00 0.00 C ATOM 792 C VAL A 53 -2.697 -8.338 -1.712 1.00 0.00 C ATOM 793 O VAL A 53 -2.320 -9.256 -0.983 1.00 0.00 O ATOM 794 CB VAL A 53 -1.020 -6.383 -1.592 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.079 -6.977 -0.689 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.629 -6.577 -3.058 1.00 0.00 C ATOM 0 H VAL A 53 -2.352 -7.533 0.686 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.151 -6.307 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.077 -5.317 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.047 -6.567 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.128 -6.724 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.096 -8.061 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.383 -6.203 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.668 -7.637 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.323 -6.029 -3.695 1.00 0.00 H new ATOM 806 N LEU A 54 -3.384 -8.564 -2.839 1.00 0.00 N ATOM 807 CA LEU A 54 -3.873 -9.877 -3.252 1.00 0.00 C ATOM 808 C LEU A 54 -2.838 -10.439 -4.212 1.00 0.00 C ATOM 809 O LEU A 54 -2.575 -9.842 -5.256 1.00 0.00 O ATOM 810 CB LEU A 54 -5.246 -9.737 -3.937 1.00 0.00 C ATOM 811 CG LEU A 54 -6.075 -11.032 -4.063 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.701 -11.458 -2.739 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.165 -10.874 -5.121 1.00 0.00 C ATOM 0 H LEU A 54 -3.618 -7.822 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.007 -10.543 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.834 -9.006 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.091 -9.330 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.382 -11.816 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.273 -12.374 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.915 -11.634 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.363 -10.670 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.738 -11.798 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.829 -10.057 -4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.707 -10.654 -6.085 1.00 0.00 H new ATOM 825 N TRP A 55 -2.232 -11.570 -3.866 1.00 0.00 N ATOM 826 CA TRP A 55 -1.204 -12.195 -4.681 1.00 0.00 C ATOM 827 C TRP A 55 -1.492 -13.682 -4.671 1.00 0.00 C ATOM 828 O TRP A 55 -1.668 -14.244 -3.589 1.00 0.00 O ATOM 829 CB TRP A 55 0.171 -11.872 -4.084 1.00 0.00 C ATOM 830 CG TRP A 55 1.333 -11.882 -5.023 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.497 -12.533 -4.814 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.525 -11.112 -6.246 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.378 -12.260 -5.837 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.866 -11.305 -6.686 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.728 -10.210 -6.985 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.426 -10.543 -7.717 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.280 -9.452 -8.036 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.637 -9.593 -8.379 1.00 0.00 C ATOM 0 H TRP A 55 -2.443 -12.079 -3.008 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.203 -11.829 -5.708 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.117 -10.887 -3.621 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.372 -12.588 -3.287 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.706 -13.173 -3.970 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.288 -12.706 -5.950 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.318 -10.100 -6.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.458 -10.686 -8.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.658 -8.758 -8.582 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.069 -8.972 -9.149 1.00 0.00 H new ATOM 849 N ASP A 56 -1.576 -14.312 -5.842 1.00 0.00 N ATOM 850 CA ASP A 56 -1.833 -15.747 -5.967 1.00 0.00 C ATOM 851 C ASP A 56 -3.089 -16.163 -5.179 1.00 0.00 C ATOM 852 O ASP A 56 -3.123 -17.201 -4.510 1.00 0.00 O ATOM 853 CB ASP A 56 -0.553 -16.534 -5.613 1.00 0.00 C ATOM 854 CG ASP A 56 0.523 -16.464 -6.698 1.00 0.00 C ATOM 855 OD1 ASP A 56 0.253 -16.029 -7.837 1.00 0.00 O ATOM 856 OD2 ASP A 56 1.677 -16.866 -6.430 1.00 0.00 O ATOM 0 H ASP A 56 -1.467 -13.837 -6.738 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.070 -15.998 -7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.144 -16.146 -4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.814 -17.578 -5.437 1.00 0.00 H new ATOM 861 N GLY A 57 -4.140 -15.335 -5.259 1.00 0.00 N ATOM 862 CA GLY A 57 -5.447 -15.576 -4.648 1.00 0.00 C ATOM 863 C GLY A 57 -5.402 -15.546 -3.122 1.00 0.00 C ATOM 864 O GLY A 57 -6.154 -16.276 -2.470 1.00 0.00 O ATOM 0 H GLY A 57 -4.099 -14.452 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.152 -14.823 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.824 -16.545 -4.977 1.00 0.00 H new ATOM 868 N LEU A 58 -4.492 -14.762 -2.541 1.00 0.00 N ATOM 869 CA LEU A 58 -4.221 -14.733 -1.110 1.00 0.00 C ATOM 870 C LEU A 58 -3.893 -13.287 -0.729 1.00 0.00 C ATOM 871 O LEU A 58 -2.835 -12.787 -1.127 1.00 0.00 O ATOM 872 CB LEU A 58 -3.068 -15.700 -0.789 1.00 0.00 C ATOM 873 CG LEU A 58 -2.746 -15.968 0.694 1.00 0.00 C ATOM 874 CD1 LEU A 58 -2.275 -14.736 1.474 1.00 0.00 C ATOM 875 CD2 LEU A 58 -3.908 -16.643 1.425 1.00 0.00 C ATOM 0 H LEU A 58 -3.910 -14.114 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.083 -15.061 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.292 -16.657 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.166 -15.314 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.900 -16.655 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.071 -15.016 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.366 -14.342 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.052 -13.972 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.634 -16.812 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.788 -16.001 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.131 -17.598 0.950 1.00 0.00 H new ATOM 887 N PRO A 59 -4.771 -12.599 0.018 1.00 0.00 N ATOM 888 CA PRO A 59 -4.559 -11.235 0.487 1.00 0.00 C ATOM 889 C PRO A 59 -3.463 -11.224 1.556 1.00 0.00 C ATOM 890 O PRO A 59 -3.714 -11.452 2.743 1.00 0.00 O ATOM 891 CB PRO A 59 -5.918 -10.763 1.007 1.00 0.00 C ATOM 892 CG PRO A 59 -6.522 -12.068 1.506 1.00 0.00 C ATOM 893 CD PRO A 59 -6.040 -13.104 0.513 1.00 0.00 C ATOM 0 HA PRO A 59 -4.212 -10.559 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.819 -10.026 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.521 -10.305 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.188 -12.300 2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.611 -12.018 1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.918 -14.077 0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.756 -13.233 -0.299 1.00 0.00 H new ATOM 901 N ARG A 60 -2.219 -11.013 1.139 1.00 0.00 N ATOM 902 CA ARG A 60 -1.091 -10.861 2.039 1.00 0.00 C ATOM 903 C ARG A 60 -1.318 -9.624 2.909 1.00 0.00 C ATOM 904 O ARG A 60 -2.034 -8.697 2.526 1.00 0.00 O ATOM 905 CB ARG A 60 0.193 -10.691 1.222 1.00 0.00 C ATOM 906 CG ARG A 60 0.530 -11.816 0.229 1.00 0.00 C ATOM 907 CD ARG A 60 1.168 -13.033 0.918 1.00 0.00 C ATOM 908 NE ARG A 60 1.926 -13.899 -0.004 1.00 0.00 N ATOM 909 CZ ARG A 60 1.482 -14.529 -1.100 1.00 0.00 C ATOM 910 NH1 ARG A 60 0.218 -14.429 -1.496 1.00 0.00 N ATOM 911 NH2 ARG A 60 2.334 -15.242 -1.811 1.00 0.00 N ATOM 0 H ARG A 60 -1.967 -10.943 0.153 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.996 -11.743 2.672 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.122 -9.756 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.027 -10.587 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.379 -12.128 -0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.211 -11.434 -0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.834 -12.686 1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.385 -13.622 1.396 1.00 0.00 H new ATOM 0 HE ARG A 60 2.912 -14.035 0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.440 -13.862 -0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.094 -14.919 -2.334 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.310 -15.306 -1.523 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.016 -15.729 -2.649 1.00 0.00 H new ATOM 925 N HIS A 61 -0.655 -9.581 4.061 1.00 0.00 N ATOM 926 CA HIS A 61 -0.704 -8.479 5.009 1.00 0.00 C ATOM 927 C HIS A 61 0.738 -8.227 5.440 1.00 0.00 C ATOM 928 O HIS A 61 1.366 -9.114 6.029 1.00 0.00 O ATOM 929 CB HIS A 61 -1.653 -8.814 6.184 1.00 0.00 C ATOM 930 CG HIS A 61 -1.289 -10.037 7.000 1.00 0.00 C ATOM 931 ND1 HIS A 61 -0.775 -10.041 8.281 1.00 0.00 N ATOM 932 CD2 HIS A 61 -1.420 -11.343 6.604 1.00 0.00 C ATOM 933 CE1 HIS A 61 -0.576 -11.321 8.636 1.00 0.00 C ATOM 934 NE2 HIS A 61 -0.959 -12.153 7.650 1.00 0.00 N ATOM 0 H HIS A 61 -0.048 -10.341 4.368 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.115 -7.570 4.570 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.691 -7.953 6.852 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.658 -8.953 5.786 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.809 -11.686 5.656 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.165 -11.639 9.583 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.921 -13.172 7.662 1.00 0.00 H new ATOM 942 N PHE A 62 1.302 -7.070 5.110 1.00 0.00 N ATOM 943 CA PHE A 62 2.639 -6.650 5.534 1.00 0.00 C ATOM 944 C PHE A 62 2.477 -5.348 6.301 1.00 0.00 C ATOM 945 O PHE A 62 1.792 -4.458 5.814 1.00 0.00 O ATOM 946 CB PHE A 62 3.570 -6.467 4.320 1.00 0.00 C ATOM 947 CG PHE A 62 3.596 -7.634 3.354 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.405 -8.756 3.613 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.795 -7.601 2.198 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.393 -9.853 2.732 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.801 -8.688 1.311 1.00 0.00 C ATOM 952 CZ PHE A 62 3.582 -9.826 1.587 1.00 0.00 C ATOM 0 H PHE A 62 0.832 -6.379 4.525 1.00 0.00 H new ATOM 0 HA PHE A 62 3.098 -7.410 6.166 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.264 -5.572 3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.583 -6.290 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.036 -8.775 4.489 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.176 -6.740 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.008 -10.716 2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.203 -8.651 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.557 -10.675 0.920 1.00 0.00 H new ATOM 962 N ILE A 63 3.042 -5.220 7.500 1.00 0.00 N ATOM 963 CA ILE A 63 3.060 -3.931 8.189 1.00 0.00 C ATOM 964 C ILE A 63 3.789 -2.935 7.283 1.00 0.00 C ATOM 965 O ILE A 63 4.809 -3.274 6.676 1.00 0.00 O ATOM 966 CB ILE A 63 3.688 -4.100 9.589 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.713 -4.838 10.532 1.00 0.00 C ATOM 968 CG2 ILE A 63 4.123 -2.770 10.214 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.618 -3.961 11.159 1.00 0.00 C ATOM 0 H ILE A 63 3.488 -5.983 8.010 1.00 0.00 H new ATOM 0 HA ILE A 63 2.059 -3.539 8.369 1.00 0.00 H new ATOM 0 HB ILE A 63 4.590 -4.697 9.456 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.236 -5.645 9.976 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.289 -5.301 11.334 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.557 -2.954 11.197 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.865 -2.293 9.574 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.257 -2.116 10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.987 -4.573 11.803 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.079 -3.169 11.749 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.010 -3.518 10.370 1.00 0.00 H new ATOM 981 N ILE A 64 3.236 -1.731 7.136 1.00 0.00 N ATOM 982 CA ILE A 64 3.915 -0.645 6.471 1.00 0.00 C ATOM 983 C ILE A 64 5.195 -0.370 7.240 1.00 0.00 C ATOM 984 O ILE A 64 5.216 -0.279 8.468 1.00 0.00 O ATOM 985 CB ILE A 64 3.036 0.614 6.374 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.824 0.395 5.455 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.822 1.846 5.899 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.140 0.355 3.966 1.00 0.00 C ATOM 0 H ILE A 64 2.305 -1.492 7.478 1.00 0.00 H new ATOM 0 HA ILE A 64 4.141 -0.926 5.442 1.00 0.00 H new ATOM 0 HB ILE A 64 2.683 0.805 7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.341 -0.542 5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.102 1.191 5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.154 2.706 5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.630 2.055 6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.240 1.652 4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.220 0.196 3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.592 1.300 3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.835 -0.460 3.763 1.00 0.00 H new ATOM 1000 N GLN A 65 6.229 -0.202 6.437 1.00 0.00 N ATOM 1001 CA GLN A 65 7.595 0.146 6.753 1.00 0.00 C ATOM 1002 C GLN A 65 7.641 1.329 7.718 1.00 0.00 C ATOM 1003 O GLN A 65 6.694 2.106 7.797 1.00 0.00 O ATOM 1004 CB GLN A 65 8.299 0.492 5.427 1.00 0.00 C ATOM 1005 CG GLN A 65 7.956 -0.484 4.282 1.00 0.00 C ATOM 1006 CD GLN A 65 6.749 -0.095 3.438 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.669 -0.652 3.607 1.00 0.00 O ATOM 1008 NE2 GLN A 65 6.899 0.842 2.517 1.00 0.00 N ATOM 0 H GLN A 65 6.113 -0.321 5.431 1.00 0.00 H new ATOM 0 HA GLN A 65 8.098 -0.687 7.244 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.021 1.503 5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.377 0.491 5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.824 -0.571 3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.778 -1.471 4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.805 1.294 2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.109 1.113 1.932 1.00 0.00 H new ATOM 1017 N SER A 66 8.770 1.520 8.384 1.00 0.00 N ATOM 1018 CA SER A 66 9.050 2.625 9.286 1.00 0.00 C ATOM 1019 C SER A 66 10.396 2.304 9.918 1.00 0.00 C ATOM 1020 O SER A 66 10.591 1.219 10.474 1.00 0.00 O ATOM 1021 CB SER A 66 7.954 2.783 10.347 1.00 0.00 C ATOM 1022 OG SER A 66 8.304 3.705 11.360 1.00 0.00 O ATOM 0 H SER A 66 9.556 0.874 8.305 1.00 0.00 H new ATOM 0 HA SER A 66 9.075 3.576 8.753 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.033 3.111 9.866 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.749 1.813 10.799 1.00 0.00 H new ATOM 0 HG SER A 66 7.573 3.771 12.009 1.00 0.00 H new ATOM 1028 N LEU A 67 11.324 3.242 9.779 1.00 0.00 N ATOM 1029 CA LEU A 67 12.692 3.144 10.269 1.00 0.00 C ATOM 1030 C LEU A 67 13.014 4.323 11.169 1.00 0.00 C ATOM 1031 O LEU A 67 13.616 4.146 12.227 1.00 0.00 O ATOM 1032 CB LEU A 67 13.722 3.062 9.120 1.00 0.00 C ATOM 1033 CG LEU A 67 13.540 4.014 7.912 1.00 0.00 C ATOM 1034 CD1 LEU A 67 14.846 4.080 7.113 1.00 0.00 C ATOM 1035 CD2 LEU A 67 12.392 3.577 6.991 1.00 0.00 C ATOM 0 H LEU A 67 11.137 4.125 9.304 1.00 0.00 H new ATOM 0 HA LEU A 67 12.763 2.218 10.839 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.710 3.244 9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.721 2.039 8.743 1.00 0.00 H new ATOM 0 HG LEU A 67 13.285 4.998 8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 67 14.719 4.750 6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.645 4.454 7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.104 3.083 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.306 4.277 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.595 2.578 6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.459 3.565 7.554 1.00 0.00 H new ATOM 1047 N ASP A 68 12.704 5.526 10.706 1.00 0.00 N ATOM 1048 CA ASP A 68 13.255 6.763 11.222 1.00 0.00 C ATOM 1049 C ASP A 68 12.084 7.739 11.162 1.00 0.00 C ATOM 1050 O ASP A 68 11.278 7.841 12.090 1.00 0.00 O ATOM 1051 CB ASP A 68 14.476 7.136 10.340 1.00 0.00 C ATOM 1052 CG ASP A 68 15.597 7.799 11.118 1.00 0.00 C ATOM 1053 OD1 ASP A 68 15.428 8.976 11.492 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.694 7.194 11.217 1.00 0.00 O ATOM 0 H ASP A 68 12.045 5.668 9.941 1.00 0.00 H new ATOM 0 HA ASP A 68 13.637 6.735 12.242 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.859 6.235 9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.150 7.806 9.544 1.00 0.00 H new ATOM 1059 N ASN A 69 11.886 8.315 9.981 1.00 0.00 N ATOM 1060 CA ASN A 69 10.805 9.194 9.593 1.00 0.00 C ATOM 1061 C ASN A 69 10.454 8.943 8.116 1.00 0.00 C ATOM 1062 O ASN A 69 10.043 9.841 7.383 1.00 0.00 O ATOM 1063 CB ASN A 69 11.304 10.612 9.870 1.00 0.00 C ATOM 1064 CG ASN A 69 10.225 11.662 9.677 1.00 0.00 C ATOM 1065 OD1 ASN A 69 10.415 12.603 8.913 1.00 0.00 O ATOM 1066 ND2 ASN A 69 9.115 11.557 10.387 1.00 0.00 N ATOM 0 H ASN A 69 12.537 8.161 9.211 1.00 0.00 H new ATOM 0 HA ASN A 69 9.883 9.023 10.149 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.680 10.667 10.892 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.142 10.833 9.209 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.389 12.269 10.307 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.984 10.764 11.014 1.00 0.00 H new ATOM 1073 N LEU A 70 10.747 7.731 7.634 1.00 0.00 N ATOM 1074 CA LEU A 70 10.682 7.311 6.237 1.00 0.00 C ATOM 1075 C LEU A 70 9.902 6.000 6.157 1.00 0.00 C ATOM 1076 O LEU A 70 9.437 5.483 7.172 1.00 0.00 O ATOM 1077 CB LEU A 70 12.090 7.104 5.634 1.00 0.00 C ATOM 1078 CG LEU A 70 13.123 8.215 5.895 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.523 7.603 5.858 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.979 9.336 4.865 1.00 0.00 C ATOM 0 H LEU A 70 11.053 6.975 8.247 1.00 0.00 H new ATOM 0 HA LEU A 70 10.187 8.095 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.492 6.168 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.984 6.984 4.556 1.00 0.00 H new ATOM 0 HG LEU A 70 12.952 8.656 6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.265 8.380 6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.605 6.835 6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.699 7.157 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.718 10.112 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.138 8.934 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.978 9.763 4.929 1.00 0.00 H new ATOM 1092 N TYR A 71 9.848 5.403 4.971 1.00 0.00 N ATOM 1093 CA TYR A 71 9.262 4.094 4.719 1.00 0.00 C ATOM 1094 C TYR A 71 10.173 3.459 3.664 1.00 0.00 C ATOM 1095 O TYR A 71 10.406 4.121 2.657 1.00 0.00 O ATOM 1096 CB TYR A 71 7.839 4.310 4.149 1.00 0.00 C ATOM 1097 CG TYR A 71 7.014 5.291 4.960 1.00 0.00 C ATOM 1098 CD1 TYR A 71 6.351 4.842 6.109 1.00 0.00 C ATOM 1099 CD2 TYR A 71 7.038 6.667 4.664 1.00 0.00 C ATOM 1100 CE1 TYR A 71 5.760 5.749 6.999 1.00 0.00 C ATOM 1101 CE2 TYR A 71 6.446 7.588 5.545 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.827 7.133 6.732 1.00 0.00 C ATOM 1103 OH TYR A 71 5.334 8.026 7.632 1.00 0.00 O ATOM 0 H TYR A 71 10.226 5.835 4.128 1.00 0.00 H new ATOM 0 HA TYR A 71 9.184 3.467 5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.916 4.671 3.123 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.320 3.352 4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.294 3.783 6.312 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.512 7.015 3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.256 5.391 7.884 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.464 8.643 5.315 1.00 0.00 H new ATOM 0 HH TYR A 71 5.461 8.937 7.293 1.00 0.00 H new ATOM 1113 N ARG A 72 10.717 2.250 3.863 1.00 0.00 N ATOM 1114 CA ARG A 72 11.665 1.573 2.956 1.00 0.00 C ATOM 1115 C ARG A 72 11.281 0.103 2.851 1.00 0.00 C ATOM 1116 O ARG A 72 11.063 -0.508 3.899 1.00 0.00 O ATOM 1117 CB ARG A 72 13.113 1.702 3.477 1.00 0.00 C ATOM 1118 CG ARG A 72 13.372 1.108 4.877 1.00 0.00 C ATOM 1119 CD ARG A 72 13.823 -0.361 4.923 1.00 0.00 C ATOM 1120 NE ARG A 72 15.261 -0.509 5.173 1.00 0.00 N ATOM 1121 CZ ARG A 72 15.861 -0.403 6.361 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.171 -0.040 7.439 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.157 -0.655 6.468 1.00 0.00 N ATOM 0 H ARG A 72 10.503 1.693 4.690 1.00 0.00 H new ATOM 0 HA ARG A 72 11.617 2.044 1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.781 1.215 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.381 2.758 3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.132 1.714 5.370 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.458 1.203 5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.268 -0.882 5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.572 -0.843 3.978 1.00 0.00 H new ATOM 0 HE ARG A 72 15.855 -0.711 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.174 0.160 7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.639 0.038 8.342 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.693 -0.929 5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.619 -0.575 7.374 1.00 0.00 H new ATOM 1137 N LEU A 73 11.123 -0.450 1.645 1.00 0.00 N ATOM 1138 CA LEU A 73 10.604 -1.810 1.481 1.00 0.00 C ATOM 1139 C LEU A 73 11.530 -2.715 0.691 1.00 0.00 C ATOM 1140 O LEU A 73 11.674 -3.877 1.068 1.00 0.00 O ATOM 1141 CB LEU A 73 9.192 -1.796 0.873 1.00 0.00 C ATOM 1142 CG LEU A 73 8.447 -3.122 1.032 1.00 0.00 C ATOM 1143 CD1 LEU A 73 8.413 -3.714 2.442 1.00 0.00 C ATOM 1144 CD2 LEU A 73 7.018 -2.870 0.567 1.00 0.00 C ATOM 0 H LEU A 73 11.347 0.023 0.769 1.00 0.00 H new ATOM 0 HA LEU A 73 10.546 -2.235 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.610 -1.003 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.264 -1.553 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 73 8.989 -3.862 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.858 -4.652 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.431 -3.899 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.925 -3.013 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.438 -3.788 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.567 -2.092 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.026 -2.549 -0.475 1.00 0.00 H new ATOM 1156 N GLU A 74 12.156 -2.216 -0.376 1.00 0.00 N ATOM 1157 CA GLU A 74 13.132 -2.986 -1.140 1.00 0.00 C ATOM 1158 C GLU A 74 14.466 -2.264 -1.042 1.00 0.00 C ATOM 1159 O GLU A 74 15.385 -2.748 -0.376 1.00 0.00 O ATOM 1160 CB GLU A 74 12.675 -3.206 -2.593 1.00 0.00 C ATOM 1161 CG GLU A 74 13.697 -3.893 -3.530 1.00 0.00 C ATOM 1162 CD GLU A 74 14.152 -5.318 -3.169 1.00 0.00 C ATOM 1163 OE1 GLU A 74 14.033 -5.754 -2.002 1.00 0.00 O ATOM 1164 OE2 GLU A 74 14.699 -6.013 -4.057 1.00 0.00 O ATOM 0 H GLU A 74 12.000 -1.273 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 74 13.235 -3.989 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.765 -3.805 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.413 -2.238 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.268 -3.921 -4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.583 -3.261 -3.581 1.00 0.00 H new ATOM 1171 N GLY A 75 14.539 -1.083 -1.647 1.00 0.00 N ATOM 1172 CA GLY A 75 15.707 -0.238 -1.747 1.00 0.00 C ATOM 1173 C GLY A 75 15.675 0.854 -0.681 1.00 0.00 C ATOM 1174 O GLY A 75 15.528 0.553 0.504 1.00 0.00 O ATOM 0 H GLY A 75 13.728 -0.671 -2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.608 -0.840 -1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.751 0.215 -2.738 1.00 0.00 H new ATOM 1178 N GLU A 76 15.880 2.112 -1.079 1.00 0.00 N ATOM 1179 CA GLU A 76 15.919 3.250 -0.158 1.00 0.00 C ATOM 1180 C GLU A 76 14.535 3.590 0.417 1.00 0.00 C ATOM 1181 O GLU A 76 13.520 3.009 0.015 1.00 0.00 O ATOM 1182 CB GLU A 76 16.562 4.461 -0.855 1.00 0.00 C ATOM 1183 CG GLU A 76 15.653 5.154 -1.883 1.00 0.00 C ATOM 1184 CD GLU A 76 16.413 6.231 -2.656 1.00 0.00 C ATOM 1185 OE1 GLU A 76 16.978 7.147 -2.009 1.00 0.00 O ATOM 1186 OE2 GLU A 76 16.494 6.108 -3.897 1.00 0.00 O ATOM 0 H GLU A 76 16.024 2.371 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 76 16.534 2.970 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.855 5.188 -0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.474 4.136 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.257 4.414 -2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.800 5.602 -1.374 1.00 0.00 H new ATOM 1193 N GLY A 77 14.501 4.555 1.343 1.00 0.00 N ATOM 1194 CA GLY A 77 13.276 5.069 1.938 1.00 0.00 C ATOM 1195 C GLY A 77 12.817 6.387 1.312 1.00 0.00 C ATOM 1196 O GLY A 77 13.607 7.076 0.666 1.00 0.00 O ATOM 0 H GLY A 77 15.343 5.005 1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.486 4.326 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.431 5.215 3.007 1.00 0.00 H new ATOM 1200 N PHE A 78 11.560 6.772 1.557 1.00 0.00 N ATOM 1201 CA PHE A 78 10.971 8.051 1.138 1.00 0.00 C ATOM 1202 C PHE A 78 10.242 8.693 2.328 1.00 0.00 C ATOM 1203 O PHE A 78 9.863 7.970 3.252 1.00 0.00 O ATOM 1204 CB PHE A 78 10.007 7.855 -0.055 1.00 0.00 C ATOM 1205 CG PHE A 78 10.687 7.865 -1.414 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.418 6.749 -1.867 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.608 9.014 -2.228 1.00 0.00 C ATOM 1208 CE1 PHE A 78 12.050 6.775 -3.123 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.231 9.038 -3.488 1.00 0.00 C ATOM 1210 CZ PHE A 78 11.953 7.919 -3.934 1.00 0.00 C ATOM 0 H PHE A 78 10.902 6.184 2.069 1.00 0.00 H new ATOM 0 HA PHE A 78 11.770 8.715 0.808 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.482 6.908 0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.254 8.643 -0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.493 5.869 -1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.065 9.881 -1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.610 5.917 -3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.154 9.916 -4.112 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.434 7.937 -4.901 1.00 0.00 H new ATOM 1220 N PRO A 79 9.997 10.020 2.311 1.00 0.00 N ATOM 1221 CA PRO A 79 9.330 10.758 3.392 1.00 0.00 C ATOM 1222 C PRO A 79 7.835 10.455 3.528 1.00 0.00 C ATOM 1223 O PRO A 79 7.234 10.808 4.544 1.00 0.00 O ATOM 1224 CB PRO A 79 9.504 12.243 3.043 1.00 0.00 C ATOM 1225 CG PRO A 79 9.639 12.231 1.529 1.00 0.00 C ATOM 1226 CD PRO A 79 10.410 10.946 1.265 1.00 0.00 C ATOM 0 HA PRO A 79 9.775 10.467 4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.648 12.835 3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.386 12.669 3.522 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.666 12.227 1.037 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.177 13.106 1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.182 10.548 0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.485 11.120 1.298 1.00 0.00 H new ATOM 1234 N SER A 80 7.216 9.828 2.528 1.00 0.00 N ATOM 1235 CA SER A 80 5.787 9.559 2.495 1.00 0.00 C ATOM 1236 C SER A 80 5.610 8.132 2.006 1.00 0.00 C ATOM 1237 O SER A 80 6.443 7.613 1.261 1.00 0.00 O ATOM 1238 CB SER A 80 5.114 10.576 1.570 1.00 0.00 C ATOM 1239 OG SER A 80 5.570 11.892 1.850 1.00 0.00 O ATOM 0 H SER A 80 7.709 9.487 1.702 1.00 0.00 H new ATOM 0 HA SER A 80 5.324 9.657 3.477 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.327 10.326 0.531 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.032 10.527 1.694 1.00 0.00 H new ATOM 0 HG SER A 80 5.019 12.540 1.363 1.00 0.00 H new ATOM 1245 N ILE A 81 4.531 7.494 2.451 1.00 0.00 N ATOM 1246 CA ILE A 81 4.132 6.190 1.954 1.00 0.00 C ATOM 1247 C ILE A 81 3.792 6.357 0.470 1.00 0.00 C ATOM 1248 O ILE A 81 4.330 5.592 -0.322 1.00 0.00 O ATOM 1249 CB ILE A 81 2.997 5.577 2.815 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.517 5.334 4.252 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.490 4.248 2.224 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.433 5.201 5.325 1.00 0.00 C ATOM 0 H ILE A 81 3.911 7.871 3.168 1.00 0.00 H new ATOM 0 HA ILE A 81 4.939 5.462 2.039 1.00 0.00 H new ATOM 0 HB ILE A 81 2.165 6.281 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.121 4.426 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.178 6.157 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.695 3.849 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.104 4.420 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.311 3.533 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.900 5.033 6.295 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.842 6.116 5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.784 4.359 5.084 1.00 0.00 H new ATOM 1264 N PRO A 82 2.970 7.343 0.048 1.00 0.00 N ATOM 1265 CA PRO A 82 2.524 7.400 -1.339 1.00 0.00 C ATOM 1266 C PRO A 82 3.670 7.628 -2.325 1.00 0.00 C ATOM 1267 O PRO A 82 3.634 7.118 -3.444 1.00 0.00 O ATOM 1268 CB PRO A 82 1.451 8.495 -1.400 1.00 0.00 C ATOM 1269 CG PRO A 82 1.687 9.335 -0.153 1.00 0.00 C ATOM 1270 CD PRO A 82 2.260 8.343 0.835 1.00 0.00 C ATOM 0 HA PRO A 82 2.109 6.441 -1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.547 9.094 -2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.448 8.067 -1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.379 10.155 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.761 9.778 0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.934 8.837 1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.469 7.882 1.426 1.00 0.00 H new ATOM 1278 N LEU A 83 4.714 8.334 -1.885 1.00 0.00 N ATOM 1279 CA LEU A 83 5.900 8.584 -2.680 1.00 0.00 C ATOM 1280 C LEU A 83 6.654 7.271 -2.911 1.00 0.00 C ATOM 1281 O LEU A 83 7.159 7.032 -4.001 1.00 0.00 O ATOM 1282 CB LEU A 83 6.765 9.658 -1.992 1.00 0.00 C ATOM 1283 CG LEU A 83 6.367 11.114 -2.333 1.00 0.00 C ATOM 1284 CD1 LEU A 83 5.048 11.605 -1.743 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.460 12.066 -1.840 1.00 0.00 C ATOM 0 H LEU A 83 4.752 8.750 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 83 5.626 8.971 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.703 9.521 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.807 9.503 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 83 6.243 11.111 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.874 12.637 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.233 10.978 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.094 11.552 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.183 13.093 -2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.573 11.962 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.403 11.822 -2.329 1.00 0.00 H new ATOM 1297 N LEU A 84 6.714 6.400 -1.900 1.00 0.00 N ATOM 1298 CA LEU A 84 7.365 5.097 -1.991 1.00 0.00 C ATOM 1299 C LEU A 84 6.579 4.180 -2.916 1.00 0.00 C ATOM 1300 O LEU A 84 7.172 3.468 -3.723 1.00 0.00 O ATOM 1301 CB LEU A 84 7.449 4.504 -0.572 1.00 0.00 C ATOM 1302 CG LEU A 84 8.525 3.445 -0.254 1.00 0.00 C ATOM 1303 CD1 LEU A 84 8.409 2.163 -1.065 1.00 0.00 C ATOM 1304 CD2 LEU A 84 9.948 3.958 -0.426 1.00 0.00 C ATOM 0 H LEU A 84 6.305 6.586 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 84 8.368 5.202 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.592 5.333 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.479 4.062 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 84 8.327 3.223 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.205 1.476 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.442 1.698 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.497 2.395 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.653 3.162 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.098 4.277 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.113 4.803 0.242 1.00 0.00 H new ATOM 1316 N ILE A 85 5.245 4.205 -2.809 1.00 0.00 N ATOM 1317 CA ILE A 85 4.373 3.379 -3.628 1.00 0.00 C ATOM 1318 C ILE A 85 4.710 3.589 -5.097 1.00 0.00 C ATOM 1319 O ILE A 85 4.743 2.609 -5.825 1.00 0.00 O ATOM 1320 CB ILE A 85 2.879 3.647 -3.316 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.491 3.229 -1.881 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.915 2.975 -4.314 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.719 1.756 -1.524 1.00 0.00 C ATOM 0 H ILE A 85 4.747 4.802 -2.149 1.00 0.00 H new ATOM 0 HA ILE A 85 4.544 2.329 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 85 2.771 4.727 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.056 3.844 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.437 3.460 -1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.886 3.204 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.112 3.350 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.065 1.896 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.411 1.580 -0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.132 1.125 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.776 1.515 -1.633 1.00 0.00 H new ATOM 1335 N ASP A 86 4.930 4.818 -5.565 1.00 0.00 N ATOM 1336 CA ASP A 86 5.066 5.024 -7.012 1.00 0.00 C ATOM 1337 C ASP A 86 6.346 4.388 -7.529 1.00 0.00 C ATOM 1338 O ASP A 86 6.360 3.756 -8.587 1.00 0.00 O ATOM 1339 CB ASP A 86 5.064 6.505 -7.352 1.00 0.00 C ATOM 1340 CG ASP A 86 5.025 6.730 -8.860 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.919 6.666 -9.442 1.00 0.00 O ATOM 1342 OD2 ASP A 86 6.076 6.997 -9.489 1.00 0.00 O ATOM 0 H ASP A 86 5.016 5.658 -4.992 1.00 0.00 H new ATOM 0 HA ASP A 86 4.211 4.549 -7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.202 6.985 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.954 6.977 -6.935 1.00 0.00 H new ATOM 1347 N HIS A 87 7.417 4.529 -6.748 1.00 0.00 N ATOM 1348 CA HIS A 87 8.721 3.991 -7.082 1.00 0.00 C ATOM 1349 C HIS A 87 8.781 2.475 -6.844 1.00 0.00 C ATOM 1350 O HIS A 87 9.779 1.853 -7.189 1.00 0.00 O ATOM 1351 CB HIS A 87 9.826 4.731 -6.312 1.00 0.00 C ATOM 1352 CG HIS A 87 9.987 6.180 -6.722 1.00 0.00 C ATOM 1353 ND1 HIS A 87 11.111 6.739 -7.291 1.00 0.00 N ATOM 1354 CD2 HIS A 87 9.039 7.165 -6.646 1.00 0.00 C ATOM 1355 CE1 HIS A 87 10.842 8.028 -7.549 1.00 0.00 C ATOM 1356 NE2 HIS A 87 9.575 8.322 -7.219 1.00 0.00 N ATOM 0 H HIS A 87 7.396 5.026 -5.858 1.00 0.00 H new ATOM 0 HA HIS A 87 8.891 4.152 -8.147 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.606 4.687 -5.245 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.772 4.212 -6.464 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.052 7.066 -6.219 1.00 0.00 H new ATOM 0 HE1 HIS A 87 11.548 8.732 -7.965 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.098 9.213 -7.359 1.00 0.00 H new ATOM 1364 N LEU A 88 7.721 1.849 -6.324 1.00 0.00 N ATOM 1365 CA LEU A 88 7.506 0.417 -6.376 1.00 0.00 C ATOM 1366 C LEU A 88 6.631 0.047 -7.560 1.00 0.00 C ATOM 1367 O LEU A 88 6.888 -0.969 -8.201 1.00 0.00 O ATOM 1368 CB LEU A 88 6.809 -0.002 -5.086 1.00 0.00 C ATOM 1369 CG LEU A 88 7.724 -0.061 -3.858 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.476 -1.417 -3.198 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.245 0.096 -4.016 1.00 0.00 C ATOM 0 H LEU A 88 6.972 2.348 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 88 8.464 -0.091 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.996 0.696 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.358 -0.983 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 88 7.449 0.830 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.106 -1.512 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.428 -1.494 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.717 -2.214 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.722 0.026 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.627 -0.694 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.466 1.067 -4.459 1.00 0.00 H new ATOM 1383 N LEU A 89 5.569 0.808 -7.813 1.00 0.00 N ATOM 1384 CA LEU A 89 4.498 0.476 -8.748 1.00 0.00 C ATOM 1385 C LEU A 89 4.983 0.558 -10.180 1.00 0.00 C ATOM 1386 O LEU A 89 4.664 -0.321 -10.971 1.00 0.00 O ATOM 1387 CB LEU A 89 3.305 1.406 -8.484 1.00 0.00 C ATOM 1388 CG LEU A 89 1.950 0.726 -8.703 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.930 1.278 -7.713 1.00 0.00 C ATOM 1390 CD2 LEU A 89 1.422 0.869 -10.110 1.00 0.00 C ATOM 0 H LEU A 89 5.426 1.708 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 89 4.176 -0.554 -8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.359 1.773 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.378 2.275 -9.138 1.00 0.00 H new ATOM 0 HG LEU A 89 2.109 -0.340 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.032 0.791 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.270 1.085 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.822 2.352 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.460 0.363 -10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.297 1.926 -10.346 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.127 0.422 -10.810 1.00 0.00 H new ATOM 1402 N SER A 90 5.779 1.569 -10.515 1.00 0.00 N ATOM 1403 CA SER A 90 6.274 1.694 -11.881 1.00 0.00 C ATOM 1404 C SER A 90 7.470 0.780 -12.124 1.00 0.00 C ATOM 1405 O SER A 90 7.828 0.527 -13.274 1.00 0.00 O ATOM 1406 CB SER A 90 6.646 3.143 -12.195 1.00 0.00 C ATOM 1407 OG SER A 90 5.558 3.764 -12.847 1.00 0.00 O ATOM 0 H SER A 90 6.090 2.299 -9.874 1.00 0.00 H new ATOM 0 HA SER A 90 5.470 1.387 -12.549 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.890 3.677 -11.277 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.533 3.176 -12.828 1.00 0.00 H new ATOM 0 HG SER A 90 5.787 4.695 -13.051 1.00 0.00 H new ATOM 1413 N THR A 91 8.098 0.282 -11.059 1.00 0.00 N ATOM 1414 CA THR A 91 9.298 -0.525 -11.178 1.00 0.00 C ATOM 1415 C THR A 91 8.947 -2.004 -11.038 1.00 0.00 C ATOM 1416 O THR A 91 9.665 -2.847 -11.567 1.00 0.00 O ATOM 1417 CB THR A 91 10.375 -0.056 -10.193 1.00 0.00 C ATOM 1418 OG1 THR A 91 10.175 -0.646 -8.929 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.482 1.467 -10.067 1.00 0.00 C ATOM 0 H THR A 91 7.787 0.429 -10.099 1.00 0.00 H new ATOM 0 HA THR A 91 9.729 -0.395 -12.171 1.00 0.00 H new ATOM 0 HB THR A 91 11.327 -0.387 -10.607 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.372 -0.266 -8.514 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.265 1.719 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.726 1.896 -11.039 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.531 1.871 -9.720 1.00 0.00 H new ATOM 1427 N GLN A 92 7.811 -2.325 -10.396 1.00 0.00 N ATOM 1428 CA GLN A 92 7.371 -3.697 -10.124 1.00 0.00 C ATOM 1429 C GLN A 92 8.314 -4.357 -9.100 1.00 0.00 C ATOM 1430 O GLN A 92 8.569 -5.562 -9.154 1.00 0.00 O ATOM 1431 CB GLN A 92 7.204 -4.514 -11.435 1.00 0.00 C ATOM 1432 CG GLN A 92 6.401 -3.836 -12.565 1.00 0.00 C ATOM 1433 CD GLN A 92 4.910 -3.819 -12.264 1.00 0.00 C ATOM 1434 OE1 GLN A 92 4.131 -4.523 -12.898 1.00 0.00 O ATOM 1435 NE2 GLN A 92 4.489 -3.012 -11.305 1.00 0.00 N ATOM 0 H GLN A 92 7.162 -1.620 -10.046 1.00 0.00 H new ATOM 0 HA GLN A 92 6.378 -3.674 -9.674 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.196 -4.755 -11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.719 -5.459 -11.190 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.756 -2.815 -12.702 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.577 -4.363 -13.503 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.157 -2.437 -10.793 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.496 -2.965 -11.078 1.00 0.00 H new ATOM 1444 N GLN A 93 8.878 -3.555 -8.187 1.00 0.00 N ATOM 1445 CA GLN A 93 9.801 -4.052 -7.164 1.00 0.00 C ATOM 1446 C GLN A 93 9.081 -4.995 -6.186 1.00 0.00 C ATOM 1447 O GLN A 93 7.940 -4.719 -5.812 1.00 0.00 O ATOM 1448 CB GLN A 93 10.437 -2.902 -6.370 1.00 0.00 C ATOM 1449 CG GLN A 93 11.850 -2.566 -6.859 1.00 0.00 C ATOM 1450 CD GLN A 93 12.375 -1.292 -6.216 1.00 0.00 C ATOM 1451 OE1 GLN A 93 13.274 -1.301 -5.379 1.00 0.00 O ATOM 1452 NE2 GLN A 93 11.802 -0.173 -6.597 1.00 0.00 N ATOM 0 H GLN A 93 8.707 -2.551 -8.138 1.00 0.00 H new ATOM 0 HA GLN A 93 10.587 -4.598 -7.686 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.807 -2.016 -6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.475 -3.170 -5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.522 -3.394 -6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.843 -2.451 -7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.057 -0.193 -7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.102 0.716 -6.196 1.00 0.00 H new ATOM 1461 N PRO A 94 9.751 -6.058 -5.717 1.00 0.00 N ATOM 1462 CA PRO A 94 9.191 -7.016 -4.781 1.00 0.00 C ATOM 1463 C PRO A 94 9.122 -6.458 -3.359 1.00 0.00 C ATOM 1464 O PRO A 94 10.114 -5.979 -2.805 1.00 0.00 O ATOM 1465 CB PRO A 94 10.089 -8.248 -4.831 1.00 0.00 C ATOM 1466 CG PRO A 94 11.435 -7.659 -5.262 1.00 0.00 C ATOM 1467 CD PRO A 94 11.089 -6.436 -6.111 1.00 0.00 C ATOM 0 HA PRO A 94 8.165 -7.256 -5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.154 -8.742 -3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.723 -8.988 -5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.037 -7.380 -4.397 1.00 0.00 H new ATOM 0 HG3 PRO A 94 12.016 -8.383 -5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.794 -5.624 -5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.133 -6.671 -7.174 1.00 0.00 H new ATOM 1475 N LEU A 95 7.956 -6.609 -2.737 1.00 0.00 N ATOM 1476 CA LEU A 95 7.653 -6.095 -1.403 1.00 0.00 C ATOM 1477 C LEU A 95 8.451 -6.804 -0.319 1.00 0.00 C ATOM 1478 O LEU A 95 8.739 -6.226 0.718 1.00 0.00 O ATOM 1479 CB LEU A 95 6.165 -6.248 -1.063 1.00 0.00 C ATOM 1480 CG LEU A 95 5.187 -5.589 -2.043 1.00 0.00 C ATOM 1481 CD1 LEU A 95 3.789 -5.631 -1.430 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.549 -4.164 -2.459 1.00 0.00 C ATOM 0 H LEU A 95 7.172 -7.107 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 95 7.927 -5.040 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.932 -7.311 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.993 -5.830 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 95 5.236 -6.162 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.078 -5.166 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.500 -6.667 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.790 -5.090 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.798 -3.785 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.583 -3.525 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.524 -4.164 -2.945 1.00 0.00 H new ATOM 1494 N THR A 96 8.797 -8.071 -0.505 1.00 0.00 N ATOM 1495 CA THR A 96 9.691 -8.739 0.406 1.00 0.00 C ATOM 1496 C THR A 96 10.375 -9.840 -0.387 1.00 0.00 C ATOM 1497 O THR A 96 9.768 -10.434 -1.290 1.00 0.00 O ATOM 1498 CB THR A 96 8.906 -9.224 1.644 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.727 -10.061 2.425 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.605 -9.973 1.332 1.00 0.00 C ATOM 0 H THR A 96 8.468 -8.648 -1.279 1.00 0.00 H new ATOM 0 HA THR A 96 10.464 -8.084 0.807 1.00 0.00 H new ATOM 0 HB THR A 96 8.620 -8.317 2.176 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.228 -10.367 3.211 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.126 -10.273 2.264 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.935 -9.320 0.773 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.829 -10.859 0.737 1.00 0.00 H new ATOM 1508 N LYS A 97 11.599 -10.193 0.009 1.00 0.00 N ATOM 1509 CA LYS A 97 12.341 -11.352 -0.490 1.00 0.00 C ATOM 1510 C LYS A 97 11.644 -12.683 -0.140 1.00 0.00 C ATOM 1511 O LYS A 97 12.150 -13.751 -0.488 1.00 0.00 O ATOM 1512 CB LYS A 97 13.787 -11.315 0.040 1.00 0.00 C ATOM 1513 CG LYS A 97 14.527 -9.978 -0.160 1.00 0.00 C ATOM 1514 CD LYS A 97 14.694 -9.505 -1.614 1.00 0.00 C ATOM 1515 CE LYS A 97 15.602 -10.447 -2.418 1.00 0.00 C ATOM 1516 NZ LYS A 97 16.095 -9.811 -3.657 1.00 0.00 N ATOM 0 H LYS A 97 12.118 -9.663 0.709 1.00 0.00 H new ATOM 0 HA LYS A 97 12.365 -11.296 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.772 -11.548 1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.357 -12.104 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.993 -9.205 0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.517 -10.064 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.716 -9.447 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.114 -8.499 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.450 -10.748 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.053 -11.354 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.704 -10.479 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.287 -9.547 -4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.641 -8.959 -3.416 1.00 0.00 H new ATOM 1530 N LYS A 98 10.492 -12.648 0.547 1.00 0.00 N ATOM 1531 CA LYS A 98 9.792 -13.811 1.083 1.00 0.00 C ATOM 1532 C LYS A 98 8.426 -14.082 0.478 1.00 0.00 C ATOM 1533 O LYS A 98 7.843 -15.116 0.812 1.00 0.00 O ATOM 1534 CB LYS A 98 9.655 -13.630 2.603 1.00 0.00 C ATOM 1535 CG LYS A 98 10.995 -13.751 3.336 1.00 0.00 C ATOM 1536 CD LYS A 98 11.548 -15.179 3.279 1.00 0.00 C ATOM 1537 CE LYS A 98 13.035 -15.226 3.666 1.00 0.00 C ATOM 1538 NZ LYS A 98 13.317 -14.638 4.990 1.00 0.00 N ATOM 0 H LYS A 98 10.009 -11.772 0.749 1.00 0.00 H new ATOM 0 HA LYS A 98 10.394 -14.681 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.219 -12.653 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.964 -14.377 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.716 -13.064 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.869 -13.451 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.976 -15.818 3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.420 -15.579 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.372 -16.263 3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.616 -14.697 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.324 -14.763 5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.088 -13.624 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.738 -15.113 5.711 1.00 0.00 H new ATOM 1552 N SER A 99 7.912 -13.204 -0.384 1.00 0.00 N ATOM 1553 CA SER A 99 6.686 -13.501 -1.112 1.00 0.00 C ATOM 1554 C SER A 99 6.654 -12.930 -2.544 1.00 0.00 C ATOM 1555 O SER A 99 5.687 -13.183 -3.252 1.00 0.00 O ATOM 1556 CB SER A 99 5.459 -12.975 -0.341 1.00 0.00 C ATOM 1557 OG SER A 99 5.182 -13.630 0.886 1.00 0.00 O ATOM 0 H SER A 99 8.322 -12.293 -0.591 1.00 0.00 H new ATOM 0 HA SER A 99 6.656 -14.587 -1.197 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.605 -11.913 -0.141 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.583 -13.061 -0.984 1.00 0.00 H new ATOM 0 HG SER A 99 5.875 -14.300 1.063 1.00 0.00 H new ATOM 1563 N GLY A 100 7.628 -12.101 -2.950 1.00 0.00 N ATOM 1564 CA GLY A 100 7.762 -11.494 -4.285 1.00 0.00 C ATOM 1565 C GLY A 100 6.512 -10.794 -4.819 1.00 0.00 C ATOM 1566 O GLY A 100 6.346 -10.653 -6.028 1.00 0.00 O ATOM 0 H GLY A 100 8.383 -11.821 -2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.577 -10.771 -4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.051 -12.272 -4.991 1.00 0.00 H new ATOM 1570 N VAL A 101 5.656 -10.318 -3.918 1.00 0.00 N ATOM 1571 CA VAL A 101 4.529 -9.450 -4.220 1.00 0.00 C ATOM 1572 C VAL A 101 5.068 -8.227 -4.952 1.00 0.00 C ATOM 1573 O VAL A 101 6.087 -7.705 -4.512 1.00 0.00 O ATOM 1574 CB VAL A 101 3.856 -9.054 -2.898 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.526 -8.347 -3.125 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.647 -10.238 -1.948 1.00 0.00 C ATOM 0 H VAL A 101 5.734 -10.536 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 101 3.790 -9.946 -4.850 1.00 0.00 H new ATOM 0 HB VAL A 101 4.552 -8.363 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.085 -8.085 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.690 -7.441 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.850 -9.009 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.167 -9.890 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.013 -10.983 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.611 -10.684 -1.705 1.00 0.00 H new ATOM 1586 N VAL A 102 4.399 -7.721 -5.987 1.00 0.00 N ATOM 1587 CA VAL A 102 4.733 -6.428 -6.583 1.00 0.00 C ATOM 1588 C VAL A 102 3.439 -5.619 -6.719 1.00 0.00 C ATOM 1589 O VAL A 102 2.351 -6.191 -6.810 1.00 0.00 O ATOM 1590 CB VAL A 102 5.538 -6.586 -7.899 1.00 0.00 C ATOM 1591 CG1 VAL A 102 6.412 -7.850 -7.970 1.00 0.00 C ATOM 1592 CG2 VAL A 102 4.705 -6.462 -9.170 1.00 0.00 C ATOM 0 H VAL A 102 3.613 -8.193 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 102 5.409 -5.869 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 102 6.207 -5.727 -7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.937 -7.876 -8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.138 -7.837 -7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.781 -8.734 -7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.349 -6.586 -10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.934 -7.233 -9.176 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.235 -5.479 -9.203 1.00 0.00 H new ATOM 1602 N LEU A 103 3.530 -4.296 -6.672 1.00 0.00 N ATOM 1603 CA LEU A 103 2.396 -3.395 -6.776 1.00 0.00 C ATOM 1604 C LEU A 103 1.964 -3.306 -8.226 1.00 0.00 C ATOM 1605 O LEU A 103 2.799 -3.134 -9.110 1.00 0.00 O ATOM 1606 CB LEU A 103 2.763 -1.992 -6.277 1.00 0.00 C ATOM 1607 CG LEU A 103 3.362 -1.901 -4.870 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.390 -0.447 -4.420 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.537 -2.668 -3.841 1.00 0.00 C ATOM 0 H LEU A 103 4.419 -3.810 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 103 1.586 -3.784 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.473 -1.555 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.866 -1.374 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 103 4.362 -2.331 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.816 -0.384 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.999 0.136 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.375 -0.050 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.001 -2.574 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.527 -2.259 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.492 -3.720 -4.122 1.00 0.00 H new ATOM 1621 N HIS A 104 0.657 -3.342 -8.462 1.00 0.00 N ATOM 1622 CA HIS A 104 0.082 -3.213 -9.792 1.00 0.00 C ATOM 1623 C HIS A 104 -1.144 -2.312 -9.722 1.00 0.00 C ATOM 1624 O HIS A 104 -1.231 -1.316 -10.437 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.325 -4.602 -10.285 1.00 0.00 C ATOM 1626 CG HIS A 104 0.762 -5.463 -10.868 1.00 0.00 C ATOM 1627 ND1 HIS A 104 1.173 -5.475 -12.179 1.00 0.00 N ATOM 1628 CD2 HIS A 104 1.414 -6.475 -10.220 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.061 -6.475 -12.314 1.00 0.00 C ATOM 1630 NE2 HIS A 104 2.238 -7.120 -11.148 1.00 0.00 N ATOM 0 H HIS A 104 -0.039 -3.463 -7.726 1.00 0.00 H new ATOM 0 HA HIS A 104 0.809 -2.777 -10.478 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.773 -5.141 -9.450 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.102 -4.480 -11.039 1.00 0.00 H new ATOM 0 HD2 HIS A 104 1.311 -6.731 -9.176 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.565 -6.727 -13.236 1.00 0.00 H new ATOM 0 HE2 HIS A 104 2.849 -7.918 -10.975 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.131 -2.664 -8.895 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.450 -2.058 -8.948 1.00 0.00 C ATOM 1640 C ARG A 105 -3.799 -1.512 -7.578 1.00 0.00 C ATOM 1641 O ARG A 105 -3.424 -2.079 -6.561 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.464 -3.095 -9.453 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.842 -2.496 -9.748 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.855 -1.595 -10.981 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.970 -0.639 -10.923 1.00 0.00 N ATOM 1646 CZ ARG A 105 -6.961 0.574 -11.491 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -5.923 0.977 -12.210 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -7.970 1.416 -11.302 1.00 0.00 N ATOM 0 H ARG A 105 -2.032 -3.377 -8.173 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.470 -1.222 -9.647 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.076 -3.562 -10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.569 -3.884 -8.708 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.560 -3.304 -9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -6.174 -1.922 -8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.911 -1.054 -11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.940 -2.205 -11.880 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.809 -0.919 -10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -5.120 0.361 -12.336 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.928 1.903 -12.638 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.761 1.141 -10.720 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.954 2.338 -11.739 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.486 -0.384 -7.555 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.846 0.311 -6.336 1.00 0.00 C ATOM 1664 C ALA A 106 -6.358 0.313 -6.254 1.00 0.00 C ATOM 1665 O ALA A 106 -7.014 0.857 -7.149 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.278 1.727 -6.361 1.00 0.00 C ATOM 0 H ALA A 106 -4.815 0.082 -8.401 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.432 -0.181 -5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.552 2.245 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -3.192 1.682 -6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.684 2.267 -7.217 1.00 0.00 H new ATOM 1672 N VAL A 107 -6.896 -0.319 -5.216 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.312 -0.297 -4.906 1.00 0.00 C ATOM 1674 C VAL A 107 -8.644 1.136 -4.504 1.00 0.00 C ATOM 1675 O VAL A 107 -8.086 1.619 -3.526 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.582 -1.299 -3.769 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -9.996 -1.224 -3.196 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.313 -2.722 -4.274 1.00 0.00 C ATOM 0 H VAL A 107 -6.345 -0.870 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.937 -0.590 -5.750 1.00 0.00 H new ATOM 0 HB VAL A 107 -7.907 -1.032 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.106 -1.961 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.173 -0.227 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.720 -1.431 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.503 -3.435 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.970 -2.940 -5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.274 -2.804 -4.594 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.526 1.837 -5.222 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.004 3.129 -4.775 1.00 0.00 C ATOM 1690 C PRO A 108 -10.980 2.986 -3.600 1.00 0.00 C ATOM 1691 O PRO A 108 -11.823 2.086 -3.603 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.674 3.728 -6.009 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.209 2.500 -6.754 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.229 1.389 -6.410 1.00 0.00 C ATOM 0 HA PRO A 108 -9.204 3.766 -4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.476 4.414 -5.737 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.966 4.290 -6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.220 2.251 -6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.250 2.675 -7.829 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.751 0.450 -6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.535 1.211 -7.232 1.00 0.00 H new ATOM 1702 N SER A 109 -10.947 3.970 -2.699 1.00 0.00 N ATOM 1703 CA SER A 109 -11.857 4.183 -1.578 1.00 0.00 C ATOM 1704 C SER A 109 -12.291 5.655 -1.466 1.00 0.00 C ATOM 1705 O SER A 109 -13.074 6.007 -0.577 1.00 0.00 O ATOM 1706 CB SER A 109 -11.155 3.724 -0.294 1.00 0.00 C ATOM 1707 OG SER A 109 -12.061 3.439 0.761 1.00 0.00 O ATOM 0 H SER A 109 -10.228 4.692 -2.740 1.00 0.00 H new ATOM 0 HA SER A 109 -12.765 3.602 -1.739 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.563 2.834 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.460 4.498 0.030 1.00 0.00 H new ATOM 0 HG SER A 109 -11.884 2.541 1.110 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.807 6.525 -2.360 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.000 7.965 -2.283 1.00 0.00 C ATOM 1715 C GLY A 110 -11.022 8.606 -1.290 1.00 0.00 C ATOM 1716 O GLY A 110 -10.267 7.897 -0.622 1.00 0.00 O ATOM 0 H GLY A 110 -11.260 6.235 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.861 8.406 -3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.024 8.181 -1.979 1.00 0.00 H new ATOM 1720 N PRO A 111 -11.013 9.945 -1.203 1.00 0.00 N ATOM 1721 CA PRO A 111 -10.060 10.696 -0.393 1.00 0.00 C ATOM 1722 C PRO A 111 -10.528 10.944 1.052 1.00 0.00 C ATOM 1723 O PRO A 111 -9.760 11.487 1.847 1.00 0.00 O ATOM 1724 CB PRO A 111 -9.946 12.030 -1.133 1.00 0.00 C ATOM 1725 CG PRO A 111 -11.391 12.262 -1.583 1.00 0.00 C ATOM 1726 CD PRO A 111 -11.857 10.857 -1.962 1.00 0.00 C ATOM 0 HA PRO A 111 -9.125 10.147 -0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.587 12.828 -0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.259 11.972 -1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.999 12.689 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.446 12.948 -2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -12.909 10.714 -1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -11.754 10.686 -3.034 1.00 0.00 H new ATOM 1734 N SER A 112 -11.797 10.678 1.371 1.00 0.00 N ATOM 1735 CA SER A 112 -12.427 11.043 2.628 1.00 0.00 C ATOM 1736 C SER A 112 -12.136 9.940 3.634 1.00 0.00 C ATOM 1737 O SER A 112 -12.904 8.987 3.774 1.00 0.00 O ATOM 1738 CB SER A 112 -13.922 11.306 2.364 1.00 0.00 C ATOM 1739 OG SER A 112 -14.653 11.725 3.502 1.00 0.00 O ATOM 0 H SER A 112 -12.428 10.187 0.737 1.00 0.00 H new ATOM 0 HA SER A 112 -12.032 11.964 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.013 12.067 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.375 10.395 1.972 1.00 0.00 H new ATOM 0 HG SER A 112 -15.589 11.872 3.253 1.00 0.00 H new ATOM 1745 N SER A 113 -10.998 10.076 4.302 1.00 0.00 N ATOM 1746 CA SER A 113 -10.457 9.140 5.262 1.00 0.00 C ATOM 1747 C SER A 113 -11.233 9.195 6.586 1.00 0.00 C ATOM 1748 O SER A 113 -10.952 10.070 7.410 1.00 0.00 O ATOM 1749 CB SER A 113 -8.974 9.497 5.439 1.00 0.00 C ATOM 1750 OG SER A 113 -8.773 10.879 5.711 1.00 0.00 O ATOM 0 H SER A 113 -10.398 10.891 4.177 1.00 0.00 H new ATOM 0 HA SER A 113 -10.554 8.113 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.556 8.906 6.254 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.428 9.225 4.536 1.00 0.00 H new ATOM 0 HG SER A 113 -9.417 11.176 6.387 1.00 0.00 H new ATOM 1756 N GLY A 114 -12.164 8.268 6.818 1.00 0.00 N ATOM 1757 CA GLY A 114 -12.819 8.093 8.103 1.00 0.00 C ATOM 1758 C GLY A 114 -13.798 9.212 8.369 1.00 0.00 C ATOM 1759 O GLY A 114 -13.500 10.053 9.244 1.00 0.00 O ATOM 0 H GLY A 114 -12.484 7.612 6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -13.341 7.136 8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.071 8.063 8.895 1.00 0.00 H new TER 1763 GLY A 114